SCHEMBL9002948

SCHEMBL9002948

ClC1CCC(c2ccccc2)(c2ccccc2)C2CNCC12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.36
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.33
HTR1A P08908 2/20 0.33
HTR2A P28223 1/20 0.32
CHRM1 P11229 1/20 0.30
CXCR3 P49682 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
Hydrochloric Acid SCHEMBL9267927 0.98 SSTR4 (0.35) SSTR4SIGMAR1OPRM1HTR1AHTR2A
Hydrochloric Acid SCHEMBL9003223 0.98 SSTR4 (0.35) SSTR4SIGMAR1OPRM1HTR1AHTR2A
Hydrochloric Acid SCHEMBL9003060 0.98 SSTR4 (0.35) SSTR4SIGMAR1OPRM1HTR1AHTR2A
Hydrochloric Acid SCHEMBL9266951 0.98 SSTR4 (0.35) SSTR4SIGMAR1OPRM1HTR1AHTR2A
SCHEMBL9003117 0.81 SSTR4 (0.39) SSTR4OPRM1HTR1AHTR2A
SCHEMBL9275122 0.81 SSTR4 (0.39) SSTR4OPRM1HTR1AHTR2A
SCHEMBL9003016 0.81 SSTR4 (0.39) SSTR4OPRM1HTR1AHTR2A
SCHEMBL9003190 0.81 SSTR4 (0.39) SSTR4OPRM1HTR1AHTR2A
SCHEMBL9268963 0.81 SSTR4 (0.36) SSTR4OPRM1HTR1AHTR2A
SCHEMBL9003025 0.81 SSTR4 (0.36) SSTR4OPRM1HTR1AHTR2A

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
US-5508433-A Derivatives of perhydroisoindole and preparation thereof RHONE-POULENC RORER S.A. (FR) 1996-04-16 US claimed
US-5508433-A Derivatives of perhydroisoindole and preparation thereof RHONE-POULENC RORER S.A. (FR) 1996-04-16 US disclosed