SCHEMBL7308048

SCHEMBL7308048

OC1(c2ccc(C(F)(F)F)cc2)CCC(N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.62
OPRL1 P41146 4/20 0.59
TRPV6 Q9H1D0 2/20 0.57
TRPV5 Q9NQA5 1/20 0.57
POLB P06746 2/20 0.52
CCR3 P51677 1/20 0.52
GAA P10253 1/20 0.51
OPRM1 P35372 1/20 0.51

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
SCHEMBL7310103 0.90 OPRL1 (0.61) HTR1DOPRL1TRPV6TRPV5OPRM1
SCHEMBL7299616 0.87 HTR1D (0.66) HTR1DOPRL1POLBCCR3
SCHEMBL7040978 0.87 OPRL1 (0.52) HTR1DOPRL1TRPV6TRPV5OPRM1
SCHEMBL4778246 0.85 OPRL1 (0.78) OPRL1POLBCCR3GAAOPRM1
SCHEMBL7038207 0.85 HTR1D (0.69) HTR1DOPRL1TRPV6TRPV5
SCHEMBL7040756 0.82 HTR1D (0.62) HTR1DOPRL1POLBCCR3
SCHEMBL7305248 0.81 HTR1D (0.57) HTR1DOPRL1
SCHEMBL7038388 0.77 HTR1D (0.88) HTR1D
SCHEMBL8192036 0.77 HTR1D (0.88) HTR1D
SCHEMBL8192035 0.77 HTR1D (0.88) HTR1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153611-A AS NON-DOPAMINERGIC ANTIISCHEMIC COMPOUNDS FOR TREATING BRAIN DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-28 US disclosed
EP-0560669-B1 Piperazinyl-and piperidinyl-cyclohexenes and cyclohexanes BRISTOL MYERS SQUIBB CO (US) 1995-06-14 EP disclosed
EP-0560669-A1 Piperazinyl-and piperidinyl-cyclohexenes and cyclohexanes Bristol-Myers Squibb Company (US) 1993-09-15 EP disclosed