SCHEMBL7817856

SCHEMBL7817856

O=C1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.91
TACR2 P21452 1/20 0.73

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
SCHEMBL7817850 0.90 TACR1 (1.00) TACR1TACR2
SCHEMBL7813913 0.86 TACR1 (0.82) TACR1TACR2
SCHEMBL7817576 0.86 TACR1 (0.82) TACR1TACR2
SCHEMBL7814228 0.85 TACR1 (1.00) TACR1
SCHEMBL7813469 0.85 TACR1 (0.78) TACR1TACR2
SCHEMBL7814279 0.85 TACR1 (0.81) TACR1
SCHEMBL7804677 0.83 TACR1 (1.00) TACR1TACR2
SCHEMBL7814107 0.78 TACR1 (1.00) TACR1
SCHEMBL6955458 0.77 TACR2 (0.90) TACR1TACR2
SCHEMBL7462043 0.77 TACR2 (1.00) TACR1TACR2

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
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed