SCHEMBL9751597

SCHEMBL9751597

CN[C@H]([C]=O)Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
CYP2D6 P10635 5/20 0.46
CYP1A2 P05177 1/20 0.46
TBXAS1 P24557 3/20 0.46
CYP3A4 P08684 4/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
KCNH2 Q12809 3/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
FPR1 P21462 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL7862745 0.81 ACACB (0.50) FDPSCYP1A2TBXAS1CYP3A4PKM
SCHEMBL6852331 0.80 TAAR1 (0.53) CYP2D6CYP1A2CYP3A4SLC6A2SLC6A4
SCHEMBL1310109 0.80 TAAR1 (0.53) CYP2D6CYP1A2CYP3A4SLC6A2SLC6A4
SCHEMBL1086155 0.80 TAAR1 (0.53) CYP2D6CYP1A2CYP3A4SLC6A2SLC6A4
SCHEMBL9770952 0.79 FDPS (0.54) FDPSCYP2D6CYP1A2TBXAS1CYP3A4
SCHEMBL12606607 0.77 TAAR1 (0.60) FDPSCYP2D6CYP1A2TBXAS1CYP3A4
SCHEMBL4093741 0.76 CTSC (0.55) FDPSCYP1A2CYP3A4PKMKMT2A
SCHEMBL24521954 0.76 CYP2D6 (0.48) FDPSCYP2D6CYP1A2TBXAS1CYP3A4
SCHEMBL1696723 0.76 FDPS (0.51) FDPSCYP2D6CYP1A2TBXAS1CYP3A4
SCHEMBL694048 0.76 FDPS (0.51) FDPSCYP2D6CYP1A2TBXAS1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400065-A4 LHRH ANALOGS 1991-03-13 EP claimed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 EP claimed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 EP claimed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed