SCHEMBL28096230

SCHEMBL28096230

C[C](C)CN1CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.57
HTR1A P08908 2/20 0.51
DRD2 P14416 1/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL27979569 0.84 DRD4 (0.47) SIGMAR1DRD2KDM4ELMNAMAPT
SCHEMBL27914131 0.84 SIGMAR1 (0.57) SIGMAR1HTR1ADRD2MAPT
SCHEMBL27801629 0.84 KDM4E (0.56) SIGMAR1HTR1ADRD2KDM4ELMNA
SCHEMBL10241118 0.82 SIGMAR1 (0.57) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL27831844 0.81 KDM4E (0.41) SIGMAR1HTR1ADRD2KDM4ELMNA
SCHEMBL27712204 0.80 KDM4E (0.43) SIGMAR1HTR1ADRD2KDM4ELMNA
SCHEMBL9531074 0.80 SIGMAR1 (0.74) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL27945231 0.79 KDM4E (0.41) SIGMAR1DRD2KDM4ELMNAMAPT
SCHEMBL23277150 0.78 KDM4E (0.49) SIGMAR1HTR1ADRD2KDM4ELMNA
SCHEMBL20582537 0.77 PPARG (0.45) SIGMAR1KDM4EPPARGPPARA

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
CN-106061963-A Heterocyclic modulators of lipid synthesis and combinations thereof 3-V生物科学股份有限公司 2016-10-26 CN disclosed