SCHEMBL7973592

SCHEMBL7973592

C[C@@H]1CN([C@H](c2ccc(Br)cc2)c2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](C)CN1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.35
OPRM1 P35372 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4575843 1.00 OPRD1 (0.35) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6939887 1.00 OPRD1 (0.35) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6939883 1.00 OPRD1 (0.35) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6939892 1.00 OPRD1 (0.35) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6928895 0.89 OPRD1 (0.33) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL2751545 0.88 OPRD1 (0.43) OPRD1OPRM1
SCHEMBL6935964 0.85 OPRD1 (0.35) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6935966 0.85 OPRD1 (0.35) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL6935960 0.83 OPRD1 (0.56) OPRD1OPRM1CYP1A2CYP3A4
SCHEMBL7971321 0.79 OPRD1 (0.50) OPRD1

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-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed