SCHEMBL6160878

SCHEMBL6160878

OC1(c2ccccc2)CCN(CCC(Cn2nnnc2-c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.56
TACR1 P25103 8/20 0.56
OPRL1 P41146 2/20 0.46
OPRM1 P35372 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
Hydrochloric Acid SCHEMBL7988071 0.85 TACR2 (0.61) TACR2TACR1
Hydrochloric Acid SCHEMBL6161088 0.85 TACR2 (0.61) TACR2TACR1
Hydrochloric Acid SCHEMBL6159104 0.82 TACR2 (0.55) TACR2TACR1OPRL1OPRM1
SCHEMBL6159965 0.80 TSHR (0.46)
SCHEMBL6160976 0.80 TSHR (0.46)
SCHEMBL6159052 0.79 TACR2 (0.56) TACR2TACR1OPRL1OPRM1
Hydrochloric Acid SCHEMBL9317762 0.76 TACR2 (0.65) TACR2TACR1OPRL1OPRM1
Hydrochloric Acid SCHEMBL6164264 0.75 TACR2 (0.44) TACR2
Hydrochloric Acid SCHEMBL6164262 0.75 TACR2 (0.44) TACR2
SCHEMBL7870017 0.75 TACR2 (0.61) TACR2TACR1OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8301868-A None JP disclosed
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
US-5889024-A Substituted heterocycles ZENECA LIMITED (GB) 1999-03-30 US disclosed
JP-H08301868-A SUBSTITUTED HETEROCYCLE ZENECA LTD 1996-11-19 JP disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed