SCHEMBL6972466

SCHEMBL6972466

COc1ccc(Cc2cc(C3CCN(C(=O)CCN)CC3)nc(N)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
P2RX3 P56373 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FKBP1A P62942 1/20 0.41
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
TRPC6 Q9Y210 2/20 0.39
CYP2D6 P10635 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 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
SCHEMBL6976878 0.85 HSD11B1 (0.51) ALDH1A1LMNARAB9AKMT2AHPGD
SCHEMBL6976781 0.84 ALDH1A1 (0.43) ALDH1A1LMNARAB9AP2RX3NPSR1
SCHEMBL6981137 0.83 SMN1; SMN2 (0.54) ALDH1A1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL6981142 0.82 GLA (0.55) NPSR1TSHRKMT2APKMMAPT
SCHEMBL6976438 0.81 NPC1 (0.45) LMNARAB9AKMT2AGAATRPC6
SCHEMBL6977211 0.79 MMP1 (0.44)
SCHEMBL7123772 0.78 SMN1; SMN2 (0.51) ALDH1A1RAB9ATSHRKMT2ASMN1; SMN2
SCHEMBL6972446 0.78 HSD17B10 (0.48) ALDH1A1LMNARAB9ASMN1; SMN2HPGD
SCHEMBL6968922 0.77 HRH4 (0.51) ALDH1A1NPSR1KMT2ASMN1; SMN2HPGD
SCHEMBL30366498 0.71 ALDH1A1 (0.65) ALDH1A1LMNANPSR1SMN1; SMN2HPGD

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-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
US-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed
EP-0892795-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-01-27 EP disclosed
WO-1997038992-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-23 WO disclosed