SCHEMBL9156431

SCHEMBL9156431

CCC1(C)CCN(C(=O)CN(C(=O)CNC(=O)Nc2cccc(C)c2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
KCNJ6 P48051 2/20 0.41
KCNJ5 P48544 2/20 0.41
KCNJ3 P48549 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DCUN1D1 Q96GG9 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIN2B Q13224 1/20 0.37

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
SCHEMBL9156180 0.92 EPHX2 (0.43) EPHX2THRBPKMKCNJ6KCNJ5
SCHEMBL9159409 0.89 EPHX2 (0.42) EPHX2THRBPKMKCNJ6KCNJ5
SCHEMBL9471547 0.88 ALDH1A1 (0.50) EPHX2THRBPKMRAB9AMEN1
SCHEMBL9158371 0.87 RAB9A (0.51) EPHX2THRBPKMRAB9AMEN1
SCHEMBL9159990 0.87 ALDH1A1 (0.44) EPHX2THRBPKMKCNJ6KCNJ5
SCHEMBL9155538 0.86 ALDH1A1 (0.42) EPHX2THRBPKMKCNJ6KCNJ5
SCHEMBL9159792 0.85 EPHX2 (0.50) EPHX2THRBPKMKCNJ6KCNJ5
SCHEMBL9157196 0.83 NPC1 (0.39) EPHX2THRBPKMKCNJ6KCNJ5
SCHEMBL9252487 0.82 MEN1 (0.41) EPHX2THRBPKMKCNJ6KCNJ5
SCHEMBL9157517 0.81 MEN1 (0.51) NPC1RAB9ASMN1; SMN2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed