SCHEMBL6160860

SCHEMBL6160860

CC(=O)NC1(c2ccccc2)CCN(CCC(Cn2cnnc2-c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 6/20 0.62
TACR1 P25103 3/20 0.62
TACR3 P29371 6/20 0.42

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
Hydrochloric Acid SCHEMBL7988071 0.85 TACR2 (0.61) TACR2TACR1TACR3
Hydrochloric Acid SCHEMBL6161088 0.85 TACR2 (0.61) TACR2TACR1TACR3
SCHEMBL14089179 0.82 TACR2 (0.75) TACR2TACR1TACR3
SCHEMBL7870009 0.81 TACR2 (0.73) TACR2TACR1TACR3
SCHEMBL6952599 0.81 TACR2 (0.73) TACR2TACR1TACR3
SCHEMBL6950366 0.80 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL7870048 0.79 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL6588311 0.79 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL6033897 0.77 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL7312636 0.77 TACR2 (0.66) TACR2TACR1TACR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
US-6355695-B1 ANTIHISTAMINES; ASTHMA THERAPY ZENECA LIMITED (SE) 2002-03-12 US disclosed
US-6235757-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2001-05-22 US disclosed
US-6051580-A Substituted heterocycles ZENECA LIMITED 2000-04-18 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed