SCHEMBL11766751

SCHEMBL11766751

CN(C)C1CCC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
OPRM1 P35372 3/20 0.44
OPRL1 P41146 2/20 0.44
OPRK1 P41145 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TACR1 P25103 2/20 0.43
SLC6A4 P31645 2/20 0.43
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
DRD4 P21917 1/20 0.38
KDM4A O75164 1/20 0.38

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
SCHEMBL11767328 0.91 KDM1A (0.41) HTR2AHTR2CHRH1HTR2BSIGMAR1
SCHEMBL4352504 0.76 OPRL1 (0.68) OPRM1OPRL1OPRK1
SCHEMBL467357 0.74 OPRL1 (0.58) SIGMAR1OPRM1OPRL1OPRK1SMN1; SMN2
SCHEMBL317531 0.74 OPRL1 (0.47) OPRM1OPRL1OPRK1
SCHEMBL11765120 0.74 KDM4A (0.48) SIGMAR1OPRM1OPRL1OPRK1MAPK1
SCHEMBL2019808 0.73 MAPK1 (0.46) OPRM1MAPK1SMN1; SMN2DRD4
SCHEMBL9586038 0.71 MAPK1 (0.36) OPRM1OPRL1MAPK1SMN1; SMN2TACR1
SCHEMBL11572399 0.71 OPRL1 (0.52) OPRM1OPRL1MAPK1SMN1; SMN2MAOB
SCHEMBL11763463 0.70 MAPK1 (0.44) OPRM1OPRL1MAPK1SMN1; SMN2TACR1
SCHEMBL4354596 0.70 SLC6A4 (0.65) OPRM1OPRL1TACR1SLC6A4

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
US-4053637-A ANTIDEPRESSANTS ASTRA LAKEMEDAL AKTIEBOLAG (SW) 1977-10-11 US disclosed