SCHEMBL9003117

SCHEMBL9003117

OC1CCC(c2ccccc2)(c2ccccc2)C2CNCC12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
GAA P10253 1/20 0.36
HTR1A P08908 6/20 0.35
GBA1 P04062 2/20 0.33
OPRM1 P35372 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
SLC18A3 Q16572 2/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL9275122 1.00 SSTR4 (0.39) SSTR4GAAHTR1AGBA1OPRM1
SCHEMBL9003190 1.00 SSTR4 (0.39) SSTR4GAAHTR1AGBA1OPRM1
SCHEMBL9003016 1.00 SSTR4 (0.39) SSTR4GAAHTR1AGBA1OPRM1
Hydrochloric Acid SCHEMBL9002997 0.98 SSTR4 (0.38) SSTR4GAAHTR1AGBA1OPRM1
Hydrochloric Acid SCHEMBL9003019 0.98 SSTR4 (0.38) SSTR4GAAHTR1AGBA1OPRM1
Hydrochloric Acid SCHEMBL9002926 0.98 SSTR4 (0.38) SSTR4GAAHTR1AGBA1OPRM1
Hydrochloric Acid SCHEMBL9002956 0.98 SSTR4 (0.38) SSTR4GAAHTR1AGBA1OPRM1
Hydrochloric Acid SCHEMBL9003178 0.98 SSTR4 (0.38) SSTR4GAAHTR1AGBA1OPRM1
SCHEMBL9002948 0.81 SSTR4 (0.36) SSTR4HTR1AOPRM1HTR2A
SCHEMBL9268963 0.81 SSTR4 (0.36) SSTR4HTR1AOPRM1HTR2A

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