SCHEMBL9631571

SCHEMBL9631571

CN[C@H]([C]=O)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.45
MMP9 P14780 3/20 0.44
MMP8 P22894 2/20 0.44
MMP2 P08253 1/20 0.44
MTNR1A P48039 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NQO2 P16083 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MMP14 P50281 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9727658 1.00 CTNNB1 (0.45) CTNNB1MMP9MMP8MMP2MTNR1A
SCHEMBL8944896 0.82 TACR1 (0.51) CTNNB1MMP9MMP8MMP2MME
SCHEMBL2269285 0.82 TACR1 (0.51) CTNNB1MMP9MMP8MMP2MME
SCHEMBL9852735 0.79 ANPEP (0.49) CTNNB1MMP9MMP8MMP2MTNR1A
SCHEMBL10857564 0.78 CTNNB1 (0.49) CTNNB1MMP9MMEACECPA1
SCHEMBL6743982 0.78 CTNNB1 (0.51) CTNNB1MMP9MTNR1ASIGMAR1CYP1A2
SCHEMBL9678479 0.75 TDP1 (0.53) CTNNB1MMP9MTNR1ACYP1A2CYP2D6
SCHEMBL2264219 0.75 CTNNB1 (0.49) CTNNB1MTNR1ASIGMAR1CYP1A2CYP2D6
SCHEMBL9676538 0.75 TDP1 (0.53) CTNNB1MMP9MTNR1ACYP1A2CYP2D6
SCHEMBL2194060 0.75 CTNNB1 (0.49) CTNNB1MTNR1ASIGMAR1CYP1A2CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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