SCHEMBL20172082

SCHEMBL20172082

CCCC1CC(C)CCN1CCC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
HTR1A P08908 11/20 0.33
DRD2 P14416 8/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL24319517 0.83 GBA1 (0.46) GBA1HTR1ADRD2
SCHEMBL24319515 0.83 GBA1 (0.46) GBA1HTR1ADRD2
SCHEMBL24319642 0.83 GBA1 (0.46) GBA1HTR1ADRD2
Hydrochloric Acid SCHEMBL28684996 0.79 GBA1 (0.40) GBA1HTR1ADRD2
Ammonia Solution, Strong SCHEMBL29062066 0.79 GBA1 (0.40) GBA1HTR1ADRD2CYP2D6TSHR
SCHEMBL18640349 0.79 GBA1 (0.35) GBA1
SCHEMBL18501202 0.78 GBA1 (0.39) GBA1HTR1ADRD2CYP2D6TSHR
SCHEMBL7026043 0.74 S1PR1 (0.49) DRD2TSHR
SCHEMBL28081479 0.73 S1PR1 (0.41) GBA1
Water SCHEMBL28363852 0.72 S1PR1 (0.47) DRD2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323818-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2018-05-23 EP disclosed