SCHEMBL6616471

SCHEMBL6616471

C=C1CCCCN1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.44
▸ HTR2B P41595 4/20 0.44
▸ NOS1 P29475 3/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ TP53 P04637 1/20 0.36
▸ HTR2A P28223 1/20 0.33
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL4873514 0.78 HTR2C (0.45) HTR2CHTR2BNOS1NOS3TP53
SCHEMBL1420634 0.77 HTR2C (0.44) HTR2CHTR2BNOS1NOS3TP53
SCHEMBL22596444 0.77 NOS3 (0.34) NOS1NOS3
Hydrochloric Acid SCHEMBL3450852 0.76 HTR2C (0.43) HTR2CHTR2BNOS1NOS3TP53
SCHEMBL2853069 0.76 HTR2C (0.43) HTR2CHTR2BNOS1NOS3TP53
SCHEMBL13955039 0.75 NOS1 (0.43) NOS1NOS3CYP2C19
SCHEMBL26022693 0.75 NOS1 (0.48) HTR2CHTR2BNOS1NOS3
Hydrochloric Acid SCHEMBL21597931 0.74 HTR2C (0.42) HTR2CHTR2BNOS1NOS3TP53
SCHEMBL23197771 0.74 NOS3 (0.33) HTR2CHTR2BNOS1NOS3HTR2A
SCHEMBL8912218 0.72 HTR2C (0.46) HTR2CHTR2BNOS1NOS3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091956-B1 MUSCARINIC ANTAGONISTS SCHERING CORP (US) 2004-08-04 — — EP disclosed
US-6451797-B1 PIPERIDINE DERIVATIVES SCHERING CORPORATION 2002-09-17 — — US disclosed
EP-1091956-A1 MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 2001-04-18 — — EP disclosed
US-6066636-A ALZHEIMER'S DISEASE SCHERING CORPORATION (US) 2000-05-23 — — US disclosed
WO-2000000488-A1 MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 2000-01-06 — — WO disclosed
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