SCHEMBL9601268

SCHEMBL9601268

O=C1C2CCC(O2)C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
HTR2C P28335 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL9601156 0.96
SCHEMBL13532586 0.85 HTR1A (0.50) HTR1AHTR2ADRD2
SCHEMBL9600927 0.85 HTR1A (0.44) HTR1AHTR2ADRD2HTR7HTR6
SCHEMBL9527982 0.84
SCHEMBL9601342 0.83
SCHEMBL9527435 0.82
SCHEMBL9602253 0.82 HTR1A (0.41) HTR1A
SCHEMBL9602347 0.82
SCHEMBL9526698 0.82 DRD2 (0.52) HTR1AHTR2ADRD2HTR7HTR6
SCHEMBL13532600 0.82

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