SCHEMBL9008733

SCHEMBL9008733

CN(CC(CCN1CCC(=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.83
TACR1 P25103 2/20 0.75

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
SCHEMBL7964701 0.91 TACR2 (0.79) TACR2TACR1
SCHEMBL759334 0.89 TACR2 (0.82) TACR2TACR1
SCHEMBL6170809 0.89 TACR2 (0.82) TACR2TACR1
SCHEMBL8292511 0.87 TACR2 (0.84) TACR2TACR1
SCHEMBL8870096 0.87 TACR2 (0.72) TACR2TACR1
SCHEMBL8870973 0.86 TACR2 (1.00) TACR2TACR1
Hydrochloric Acid SCHEMBL8871548 0.86 TACR2 (0.81) TACR2
SCHEMBL8291341 0.85 TACR2 (0.74) TACR2
Hydrochloric Acid SCHEMBL9319119 0.85 TACR2 (0.98) TACR2TACR1
Hydrochloric Acid SCHEMBL9079366 0.85 TACR2 (0.98) TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576333-A ASTHMA TREATMENT ZENECA LIMITED (GB) 1996-11-19 US disclosed
US-5559131-A ANTAGONISTS OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
US-5559132-A ANTAGONIST OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 WO disclosed