SCHEMBL7501870

SCHEMBL7501870

O=C(c1ccn(Cc2cncn2CC2CCN(C(=O)OCc3ccccc3)CC2)c1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.43
FNTB P49356 7/20 0.43
PGGT1B P53609 3/20 0.43
GRIN2B Q13224 9/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP3A4 P08684 3/20 0.41
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C19 P33261 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL7509474 0.86 CNR1 (0.46) FNTAFNTBPGGT1BCYP3A4CNR1
SCHEMBL7512994 0.81 CNR1 (0.41) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7509424 0.79 FNTA (0.72) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7507010 0.79 FNTA (0.60) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7514213 0.78 FNTA (0.53) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7661101 0.77 FNTA (0.43) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL6926261 0.77 GRIN2B (0.54) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL6923102 0.76 GRIN2B (0.53) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7659648 0.76 FNTA (0.42) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7662366 0.76 FNTA (0.42) FNTAFNTBPGGT1BGRIN2BCYP2D6

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 4 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 claimed
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