SCHEMBL6638106

SCHEMBL6638106

CCCCn1c(CN(C(=O)CCC)c2cccc(F)c2)nc2cc(CN(CC)CC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 6/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ F2 P00734 4/20 0.40
▸ RECQL P46063 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ AGTR2 P50052 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ICMT O60725 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL6298905 0.80 CNR2 (0.48) HDAC6CNR1CNR2F2
SCHEMBL14266715 0.80 CNR2 (0.49) HDAC6CNR1CNR2AGTR1AGTR2
SCHEMBL6638110 0.78 CNR2 (0.42) HDAC6CNR1CNR2RECQLTHRB
SCHEMBL6299929 0.75 LTB4R2 (0.44) LTB4R2HDAC6CNR2F2
SCHEMBL6635073 0.73 LTB4R2 (0.43) LTB4R2HDAC6F2
SCHEMBL5103828 0.72 AGTR1 (0.40) CNR1CNR2F2RECQLTHRB
SCHEMBL6300098 0.71 AGTR1 (0.42) F2AGTR1AGTR2
SCHEMBL6300102 0.70 AGTR1 (0.39) CNR1CNR2F2RECQLAGTR1
SCHEMBL6304436 0.69 ALOX5 (0.40) LTB4R2HDAC6CNR2
SCHEMBL6298922 0.69 AGTR1 (0.38) HDAC6F2RECQLAGTR1AGTR2

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
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 — — EP claimed
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