SCHEMBL9532701

SCHEMBL9532701

CCOC(CN1CC=C(c2ccc(Cl)cc2)CC1)OCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.51
PPARA Q07869 6/20 0.51
SIGMAR1 Q99720 11/20 0.48
HTR1A P08908 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL9532848 0.86 PPARG (0.50) PPARGPPARASIGMAR1HTR1AKDM4E
SCHEMBL9532716 0.81 PPARG (0.43) PPARGPPARAHTR1AKDM4EALDH1A1
SCHEMBL10241118 0.79 SIGMAR1 (0.57) PPARGPPARASIGMAR1HTR1A
SCHEMBL9092349 0.75 SIGMAR1 (0.53) SIGMAR1HTR1AKDM4EALDH1A1LMNA
SCHEMBL11938943 0.74 SIGMAR1 (0.65) PPARGPPARASIGMAR1HTR1A
SCHEMBL9093194 0.74 SIGMAR1 (0.49) PPARGPPARASIGMAR1HTR1AKDM4E
SCHEMBL28096230 0.73 SIGMAR1 (0.57) PPARGPPARASIGMAR1HTR1AKDM4E
SCHEMBL31127642 0.72 SIGMAR1 (0.45) SIGMAR1KDM4ELMNA
SCHEMBL34465490 0.72 CHRNB2 (0.43) PPARGPPARASIGMAR1KDM4EALDH1A1
SCHEMBL31127699 0.72 CHRNB2 (0.43) PPARGPPARASIGMAR1KDM4EALDH1A1

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
EP-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed