SCHEMBL8869745

SCHEMBL8869745

O=C(O)Cc1ccc(NC(=O)NCC(=O)N2C(c3ccccc3)CCC2c2cccc(O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.50
▸ ACE P12821 1/20 0.50
▸ POLB P06746 1/20 0.45
▸ RORC P51449 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.42
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ PRMT3 O60678 1/20 0.40
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL8871464 0.92 RORC (0.51) POLBRORCNR1H4PRMT3
SCHEMBL8871473 0.92 RORC (0.51) POLBRORCNR1H4PRMT3
SCHEMBL8870087 0.91 MME (0.47) MMEACENR1H4PRMT3HIF1A
SCHEMBL8870354 0.85 HPSE (0.47) MMEACENR1H4PRMT3
SCHEMBL8870350 0.85 HPSE (0.47) MMEACENR1H4PRMT3
SCHEMBL8871638 0.81 ALDH1A1 (0.46) PRMT3
SCHEMBL8871632 0.81 ALDH1A1 (0.46) PRMT3
SCHEMBL7568821 0.80 SELP (0.41) MMEACEPRMT3
SCHEMBL8870888 0.77 ITGB1 (0.42) MMEACEITGB1ITGA4
SCHEMBL8870999 0.77 ITGB1 (0.43) MMEACEITGB1ITGA4PRMT3

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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