SCHEMBL6159052

SCHEMBL6159052

OC1(c2ccccc2)CCN(CCC(Cn2cncc2-c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.56
TACR1 P25103 6/20 0.56
OPRL1 P41146 2/20 0.46
OPRM1 P35372 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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 SCHEMBL6159104 0.82 TACR2 (0.55) TACR2TACR1OPRL1OPRM1
SCHEMBL6160705 0.80 CYP11B1 (0.45) TACR2SLC6A2SLC6A4SLC6A3
SCHEMBL6160878 0.79 TACR2 (0.56) TACR2TACR1OPRL1OPRM1
Hydrochloric Acid SCHEMBL9317762 0.76 TACR2 (0.65) TACR2TACR1OPRL1OPRM1
SCHEMBL7870017 0.75 TACR2 (0.61) TACR2TACR1OPRL1OPRM1SLC6A2
SCHEMBL6952533 0.74 TACR2 (0.61) TACR2TACR1OPRL1OPRM1SLC6A2
Hydrochloric Acid SCHEMBL7871909 0.74 TACR2 (0.61) TACR2TACR1OPRL1OPRM1SLC6A2
Hydrochloric Acid SCHEMBL9319134 0.74 TACR2 (0.63) TACR2TACR1OPRL1
SCHEMBL7812116 0.73 TACR2 (0.67) TACR2TACR1
SCHEMBL6164928 0.73 CYP11B1 (0.44) TACR2SLC6A2SLC6A4SLC6A3

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 6 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
US-5889024-A Substituted heterocycles ZENECA LIMITED (GB) 1999-03-30 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed