SCHEMBL6180675

SCHEMBL6180675

O=C(COCc1ccccc1)N1CCC(C2CCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.55
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.45
▸ TACR3 P29371 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL5121718 1.00 GRM5 (0.55) GRM5ALDH1A1POLBHRH3TACR3
SCHEMBL6180672 0.86 GRM5 (0.52) GRM5ALDH1A1POLBTACR3NPC1
SCHEMBL5724695 0.83 GRM5 (0.59) GRM5ALDH1A1POLBTACR3NPC1
SCHEMBL7381273 0.82 ALDH1A1 (0.68) ALDH1A1POLBTACR3RAB9A
SCHEMBL15092589 0.82 GRM5 (0.58) GRM5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7341385 0.82 SMN1; SMN2 (0.63) HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL15092591 0.82 GRM5 (0.58) GRM5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4703743 0.81 GRM5 (0.54) GRM5ALDH1A1POLBSMN1; SMN2
SCHEMBL4703742 0.81 GRM5 (0.54) GRM5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5121712 0.81 GRM5 (0.54) GRM5ALDH1A1POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583741-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories, Limited (IN) 2005-10-12 — — EP disclosed
WO-2004056767-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 — — WO disclosed
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