Sugi Predict

Sugi Predict / Compounds / SCHEMBL7965604

SCHEMBL7965604

SCHEMBL7965604

CNCCCOc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.71
▸ ABCB11 O95342 1/20 0.48
▸ EPHX2 P34913 5/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL7956634 0.97 P2RX7 (0.72) P2RX7ABCB11EPHX2GPR55
SCHEMBL6939407 0.88 P2RX7 (0.72) P2RX7ABCB11EPHX2
Hydrochloric Acid SCHEMBL6943149 0.88 P2RX7 (0.71) P2RX7ABCB11EPHX2
SCHEMBL7955732 0.87 P2RX7 (0.70) P2RX7ABCB11EPHX2
SCHEMBL6943104 0.84 P2RX7 (0.76) P2RX7ABCB11
SCHEMBL6860227 0.83 P2RX7 (1.00) P2RX7ABCB11
SCHEMBL7965380 0.79 P2RX7 (0.71) P2RX7EPHX2GPR55
SCHEMBL6939404 0.77 P2RX7 (0.72) P2RX7ABCB11GPR55
SCHEMBL7661587 0.76 P2RX7 (0.70) P2RX7ABCB11EPHX2
SCHEMBL6941247 0.75 P2RX7 (0.69) P2RX7ABCB11GPR55

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-6242470-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION ASTRAZENECA AB (SE) 2001-06-05 — — US claimed
US-6242470-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION ASTRAZENECA AB (SE) 2001-06-05 — — US disclosed