SCHEMBL4962731

SCHEMBL4962731

Cc1cccc(N(C(=O)[C@H]2CCCNC2)C2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.41
▸ CDK9 P50750 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ REN P00797 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL4960546 0.85 MTNR1A (0.44) TRPM8CDK9NPC1RAB9APOLB
SCHEMBL4962814 0.85 CHRM2 (0.52) TRPM8CDK9CHRM2CHRM3NPC1
SCHEMBL4963040 0.85 CHRM2 (0.52) TRPM8CDK9CHRM2CHRM3NPC1
SCHEMBL4961277 0.84 POLB (0.42) CHRM2CHRM3RAB9ASLC6A2SLC6A4
SCHEMBL4961968 0.79 LMNA (0.58) CDK9SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4960293 0.78 TRPM8 (0.50) TRPM8CDK9NPC1RAB9AKCNH2
SCHEMBL4961292 0.77 CHRM2 (0.48) TRPM8CDK9CHRM2CHRM3NPC1
SCHEMBL4961245 0.76 MLYCD (0.41) CHRM2CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL4961872 0.76 SLC6A2 (0.46) TRPM8CDK9CHRM2CHRM3NPC1
SCHEMBL4960487 0.75 OPRM1 (0.39) CDK9SLC6A2SLC6A4KCNH2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 — — EP disclosed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 — — EP disclosed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 — — WO disclosed
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