SCHEMBL7669809

SCHEMBL7669809

CN(C[C@@H](CCN1CCC(c2ccccc2O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.83
TACR1 P25103 4/20 0.83
TACR3 P29371 4/20 0.83

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
SCHEMBL7669815 1.00 TACR2 (0.83) TACR2TACR1TACR3
SCHEMBL7673760 0.90 TACR2 (0.79) TACR2TACR1TACR3
SCHEMBL7673763 0.90 TACR2 (0.79) TACR2TACR1TACR3
SCHEMBL7666692 0.90 TACR2 (0.79) TACR2TACR1TACR3
SCHEMBL7666681 0.90 TACR2 (0.79) TACR2TACR1TACR3
SCHEMBL7673768 0.90 TACR2 (0.79) TACR2TACR1TACR3
SCHEMBL29374317 0.90 TACR2 (0.79) TACR2TACR1TACR3
SCHEMBL7674606 0.89 TACR2 (0.78) TACR2TACR1TACR3
SCHEMBL7674607 0.89 TACR2 (0.78) TACR2TACR1TACR3
SCHEMBL13964807 0.89 TACR2 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed