SCHEMBL9601724

SCHEMBL9601724

O=C1C2CCCC(C2)C(=O)N1CCCCN1CCN(c2cnccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.60
HRH3 Q9Y5N1 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL9822860 0.87 HTR1A (0.58) HTR1AHRH3
SCHEMBL9601342 0.83
SCHEMBL9587786 0.81 DRD2 (0.70) HTR1ADRD2DRD4
SCHEMBL11005707 0.81 HTR1A (0.56) HTR1AHRH3DRD2DRD4
SCHEMBL10661175 0.81 HTR1A (0.56) HTR1A
SCHEMBL9526311 0.81 HTR1A (0.58) HTR1A
SCHEMBL9527472 0.80 HTR1A (0.55) HTR1A
SCHEMBL9527844 0.80 HTR1A (0.55) HTR1A
SCHEMBL10556971 0.80 HTR1A (0.55) HTR1AHRH3
SCHEMBL9600927 0.78 HTR1A (0.44) HTR1ADRD2

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-0309544-B1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-10 EP claimed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US claimed
EP-0309544-B1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-10 EP disclosed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed