SCHEMBL7961476

SCHEMBL7961476

COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(F)cc3)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 0.80

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
SCHEMBL7947303 0.95 HRH1 (1.00) HRH1
SCHEMBL1387168 0.94 HRH1 (1.00) HRH1TACR1
SCHEMBL7955582 0.94 HRH1 (0.88) HRH1TACR1
SCHEMBL7947330 0.92 HRH1 (0.86) HRH1TACR1
SCHEMBL1387220 0.92 HRH1 (1.00) HRH1TACR1
SCHEMBL7961270 0.92 HRH1 (0.94) HRH1
SCHEMBL7961135 0.92 HRH1 (0.93) HRH1
SCHEMBL1387270 0.91 HRH1 (1.00) HRH1TACR1
SCHEMBL7961326 0.90 HRH1 (0.91) HRH1
SCHEMBL7946761 0.90 HRH1 (0.92) 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