SCHEMBL6215988

SCHEMBL6215988

COc1ccc(C(=O)N(CC(=O)N2CCC(N(C)Cc3ccccc3)CC2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.53
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CHRM2 P08172 2/20 0.49
▸ CHRM3 P20309 2/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MCHR1 Q99705 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ OPRD1 P41143 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ PTGIR P43119 1/20 0.44

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
SCHEMBL6215237 0.85 ACHE (0.54) ACHENPC1RAB9ACHRM2CHRM3
SCHEMBL6421231 0.84 ACHE (0.56) ACHENPC1RAB9ACHRM2CHRM3
SCHEMBL6346963 0.83 ACHE (0.52) ACHECHRM3KMT2AMEN1POLB
SCHEMBL6370380 0.83 ACHE (0.57) ACHENPC1RAB9ACHRM2CHRM3
SCHEMBL6354271 0.82 ACHE (0.52) ACHECHRM3KMT2AMEN1POLB
SCHEMBL6370819 0.82 ACHE (0.52) ACHENPC1RAB9ACHRM2CHRM3
SCHEMBL6219313 0.81 ACHE (0.51) ACHECHRM2CHRM3KMT2AMEN1
SCHEMBL4842118 0.81 ACHE (0.66) ACHECHRM2CHRM3KMT2AMEN1
SCHEMBL6216961 0.80 ACHE (0.52) ACHECHRM2CHRM3KMT2AMEN1
SCHEMBL6216563 0.80 ACHE (0.58) ACHECHRM2CHRM3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 — — EP disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 — — US disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 — — EP disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 — — WO disclosed
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