SCHEMBL7937558

SCHEMBL7937558

Fc1cccc(OC2CN([C@H]3CC[C@H](c4c[nH]c5cc(F)ccc54)CC3)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.56
OPRM1 P35372 2/20 0.48
OPRL1 P41146 2/20 0.48
SLC6A4 P31645 5/20 0.47
DRD2 P14416 1/20 0.47
ADRA1D P25100 3/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ADRA1B P35368 1/20 0.43
HTR2A P28223 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL7534465 1.00 HTR1A (0.56) HTR1AOPRM1OPRL1SLC6A4DRD2
SCHEMBL7534471 1.00 HTR1A (0.56) HTR1AOPRM1OPRL1SLC6A4DRD2
SCHEMBL7533383 0.92 HTR1A (0.57) HTR1AOPRM1OPRL1SLC6A4SLC6A2
SCHEMBL7534385 0.92 HTR1A (0.52) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7533386 0.92 HTR1A (0.57) HTR1AOPRM1OPRL1SLC6A4SLC6A2
SCHEMBL7535111 0.92 HTR1A (0.57) HTR1AOPRM1OPRL1SLC6A4SLC6A2
SCHEMBL7533322 0.92 HTR1A (0.52) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7533330 0.92 HTR1A (0.52) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7534723 0.84 HTR1A (0.61) HTR1ASLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL7535549 0.84 HTR1A (0.61) HTR1ASLC6A4SLC6A2SLC6A3HTR2A

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
US-6245799-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORP 2001-06-12 US claimed
US-6245799-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORP 2001-06-12 US disclosed