SCHEMBL493274

SCHEMBL493274

Cc1ccc(F)cc1-c1noc(C(=O)NCC(=O)NC2CCC(C(CCc3ccccc3)N(C)C)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.36
ACKR3 P25106 3/20 0.36
RAB9A P51151 2/20 0.35
CCR2 P41597 1/20 0.35
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
ABL1 P00519 1/20 0.34
SMYD3 Q9H7B4 2/20 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
SCHEMBL493502 0.88 KMT2A (0.40) RAB9ACCR2HPGDNPC1SMN1; SMN2
SCHEMBL492929 0.87 RAB9A (0.37) LIPGACKR3RAB9ACCR2HPGD
SCHEMBL493049 0.85 KMT2A (0.38) RAB9ACCR2NPC1SMN1; SMN2SMYD3
SCHEMBL493674 0.84 TDP1 (0.38) RAB9ACCR2HPGDNPC1SMN1; SMN2
SCHEMBL493800 0.84 GHSR (0.38) RAB9ACCR2NPC1SMN1; SMN2TSHR
SCHEMBL493060 0.83 FAAH (0.44) LIPGRAB9ACCR2NPC1SMN1; SMN2
SCHEMBL493591 0.83 SMN1; SMN2 (0.47) CCR2SMN1; SMN2LMNA
SCHEMBL493677 0.83 KMT2A (0.49) HPGD
SCHEMBL493221 0.82 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL492980 0.82 KDM4E (0.45) HPGDNPC1SMN1; SMN2TSHRLMNA

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