SCHEMBL7512994

SCHEMBL7512994

Cc1ncc(Cn2ccc(C(=O)c3cccc4ccccc34)c2)n1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIN2B Q13224 7/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL7501870 0.81 FNTA (0.43) CNR1FNTAFNTBPGGT1BSMN1; SMN2
SCHEMBL6986106 0.73 SMN1; SMN2 (0.53) FNTAFNTBPGGT1BSMN1; SMN2NPC1
SCHEMBL7509474 0.68 CNR1 (0.46) CNR1FNTAFNTBPGGT1BCYP3A4
SCHEMBL6980663 0.64 FNTA (0.56) CNR1FNTAFNTBPGGT1BCYP3A4
SCHEMBL11075243 0.64 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27694059 0.64 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5634523 0.64 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL29988990 0.64 CNR1 (0.74) CNR1CNR2
SCHEMBL948076 0.63 SMN1; SMN2 (0.50) FNTAFNTBPGGT1BSMN1; SMN2NPC1
SCHEMBL20135642 0.63 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058683-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PIPERIDINE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2002-12-04 EP disclosed
EP-1058683-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PIPERIDINE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LIMITED (KR) 2000-12-13 EP disclosed
WO-1999038862-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PIPERIDINE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1999-08-05 WO disclosed