SCHEMBL493820

SCHEMBL493820

Cc1cc(C)c(-c2noc(C(=O)NCC(=O)NC3CCC(C(c4ccccc4)N(C)C)CC3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
CCR2 P41597 2/20 0.37
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
BRD4 O60885 3/20 0.35
ALDH1A1 P00352 2/20 0.34
LIPG Q9Y5X9 1/20 0.34
GPR139 Q6DWJ6 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL493223 0.91 RAB9A (0.38) RAB9ACCR2NPC1GPR139
SCHEMBL492913 0.88 RAB9A (0.39) RAB9ACCR2NPC1ALDH1A1LIPG
SCHEMBL493600 0.88 GHSR (0.40) RAB9ACCR2NPC1GPR139
SCHEMBL492929 0.87 RAB9A (0.37) RAB9ACCR2TSHRLIPGHPGD
SCHEMBL493737 0.85 KMT2A (0.49) HPGD
SCHEMBL494415 0.85 TSHR (0.42) RAB9ATSHRNPC1ALDH1A1HPGD
SCHEMBL493779 0.85 SMN1; SMN2 (0.52) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL493647 0.84 KDM4E (0.48) CCR2NPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL493863 0.83 LMNA (0.48) CCR2SMN1; SMN2
SCHEMBL494528 0.80 SMN1; SMN2 (0.39) RAB9ACCR2TSHRNPC1ALDH1A1

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed