SCHEMBL492929

SCHEMBL492929

Cc1ccc(F)cc1-c1noc(C(=O)NCC(=O)NC2CCC(C(c3ccccc3)N(C)C)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
CCR2 P41597 2/20 0.36
LIPG Q9Y5X9 8/20 0.36
ACKR3 P25106 1/20 0.36
ABL1 P00519 1/20 0.36
MAPK14 Q16539 1/20 0.36
SLC6A9 P48067 1/20 0.35
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL494415 0.88 TSHR (0.42) RAB9AHPGDTSHRTP53
SCHEMBL493274 0.87 LIPG (0.36) RAB9ACCR2LIPGACKR3ABL1
SCHEMBL493820 0.87 RAB9A (0.40) RAB9ACCR2LIPGHPGDTSHR
SCHEMBL493223 0.84 RAB9A (0.38) RAB9ACCR2
SCHEMBL492913 0.83 RAB9A (0.39) RAB9ACCR2LIPGHPGD
SCHEMBL493600 0.83 GHSR (0.40) RAB9ACCR2
SCHEMBL493737 0.81 KMT2A (0.49) HPGD
SCHEMBL493863 0.81 LMNA (0.48) CCR2LMNA
SCHEMBL493779 0.81 SMN1; SMN2 (0.52) RAB9AHPGDLMNATP53
SCHEMBL493647 0.81 KDM4E (0.48) CCR2HPGDLMNATP53

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