SCHEMBL7954731

SCHEMBL7954731

COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4cccnc4)CC3)(c3ccccc3)C2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 1.00
TACR1 P25103 1/20 0.74

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
SCHEMBL7961249 0.95 HRH1 (0.90) HRH1TACR1
SCHEMBL7958188 0.94 HRH1 (1.00) HRH1TACR1
SCHEMBL7954695 0.92 HRH1 (0.88) HRH1TACR1
SCHEMBL7964453 0.92 HRH1 (0.88) HRH1TACR1
SCHEMBL1387224 0.91 HRH1 (1.00) HRH1TACR1
SCHEMBL1387270 0.91 HRH1 (1.00) HRH1TACR1
Hydrochloric Acid SCHEMBL7955272 0.91 HRH1 (1.00) HRH1TACR1
SCHEMBL1387195 0.90 HRH1 (1.00) HRH1TACR1
SCHEMBL7947281 0.89 HRH1 (0.85) HRH1TACR1
SCHEMBL7947254 0.89 HRH1 (0.84) HRH1TACR1

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-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed