SCHEMBL2639451

SCHEMBL2639451

CNC([C]=O)Cc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
SLC6A2 P23975 1/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
ESR1 P03372 11/20 0.44
ESR2 Q92731 11/20 0.44
SLC7A5 Q01650 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2639452 1.00 TAAR1 (0.46) TAAR1SLC6A2OPRD1OPRK1ESR1
SCHEMBL7517353 1.00 TAAR1 (0.46) TAAR1SLC6A2OPRD1OPRK1ESR1
SCHEMBL900060 0.83 SLC7A5 (0.43) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL900062 0.83 SLC7A5 (0.43) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL10589188 0.82 ESR1 (0.43) TAAR1SLC6A2ESR1ESR2
SCHEMBL10589191 0.82 ESR1 (0.43) TAAR1SLC6A2ESR1ESR2
SCHEMBL9539351 0.81 SLC7A5 (0.46) TAAR1SLC6A2OPRK1ESR1ESR2
SCHEMBL904480 0.81 SLC7A5 (0.42) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL9539354 0.81 SLC7A5 (0.46) TAAR1SLC6A2OPRK1ESR1ESR2
SCHEMBL904481 0.81 SLC7A5 (0.42) TAAR1SLC6A2ESR1ESR2SLC7A5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US claimed
EP-1242455-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2002-09-25 EP claimed
US-6297354-B1 USEFUL IN TREATMENT OF DISEASE CONDITIONS WHICH ARE MEDIATED BY REPRODUCTIVE HORMONES, INCLUDING BENIGN PROSTATE HYPERPLASIA, PROSTATE TUMORS, BREAST AND OVARIES TUMORS, CRYPTORCHIDISM, HIRSUITISM, GASTRIC MOTILITY DISORDERS ABBOTT LABORATORIES 2001-10-02 US claimed
WO-2001038397-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2001-05-31 WO claimed
US-6191115-B1 PEPTIDES AND POLYPEPTIDES ABBOTT LABORATORIES 2001-02-20 US claimed
WO-2000009544-A1 HEPTAPEPTIDE LHRH ANALOGS ABBOTT LABORATORIES (US) 2000-02-24 WO claimed
WO-2000009545-A1 PENTAPEPTIDE LHRH ANALOGS ABBOTT LABORATORIES (US) 2000-02-24 WO claimed
JP-H09501913-A 1997-02-25 JP claimed
EP-0738154-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH Abbott Laboratories (US) 1996-10-23 EP claimed
EP-0738154-A4 N-TERMINUS MODIFIED ANALOGS OF LHRH ABBOTT LAB (US) 1996-04-12 EP claimed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-0060121-B1 CYCLIC PEPTIDE AND ITS USE AS A FUNGICIDE UNIVERSITY OF HAWAII (US) 1984-12-05 EP claimed
EP-0008196-B1 PENTAPEPTIDES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES USED IN SUCH PROCESSES, USE IN PHARMACEUTICAL COMPOSITIONS AND COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1983-09-07 EP claimed