SCHEMBL10535802

SCHEMBL10535802

CC=CCN1CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.54
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.47
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL10535597 0.82 SIGMAR1 (0.53) SIGMAR1HTR1ADRD2
SCHEMBL10241118 0.80 SIGMAR1 (0.57) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL28096230 0.76 SIGMAR1 (0.57) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL11938943 0.75 SIGMAR1 (0.65) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL9531074 0.74 SIGMAR1 (0.74) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL7110331 0.73 SIGMAR1 (0.53) SIGMAR1HTR1ADRD2
SCHEMBL10287534 0.73 SIGMAR1 (0.71) SIGMAR1HTR1ADRD2
SCHEMBL9869529 0.72 HTR1A (0.51) SIGMAR1HTR1ADRD2
SCHEMBL6626009 0.72 SIGMAR1 (0.65) SIGMAR1HTR1ADRD2
SCHEMBL11932475 0.71 SIGMAR1 (0.61) SIGMAR1HTR1ADRD2PPARGPPARA

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
WO-1989005799-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár RT (HU) 1989-06-29 WO claimed
WO-1989005799-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár RT (HU) 1989-06-29 WO disclosed