SCHEMBL7968632

SCHEMBL7968632

C[C@@H]1CN([C@H](c2ccc(-c3nnc(Cc4ccc(C(=O)O)cc4)o3)cc2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL7958089 0.94
SCHEMBL7974131 0.87
SCHEMBL7970775 0.85 CYP1A2 (0.48) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL7973731 0.85
SCHEMBL7971007 0.83
SCHEMBL12016538 0.82 OPRD1 (0.58) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12016540 0.80 CYP1A2 (0.60) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4577159 0.80 CYP1A2 (0.73) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL5078483 0.80 CYP1A2 (0.73) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4591150 0.80 CYP1A2 (0.73) OPRD1CYP1A2CYP3A4CYP2C9HPGD

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