SCHEMBL5280763

SCHEMBL5280763

CC(C)(C)C(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.86
AVPR2 P30518 9/20 0.86
KCNH2 Q12809 4/20 0.86
OXTR P30559 3/20 0.63

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 SCHEMBL5094923 0.99 AVPR1A (0.84) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5284652 0.92 AVPR1A (1.00) AVPR1AAVPR2KCNH2OXTR
Hydrochloric Acid SCHEMBL5107962 0.92 AVPR1A (0.98) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5101530 0.91 AVPR1A (0.70) AVPR1AAVPR2KCNH2OXTR
SCHEMBL20727555 0.90 AVPR1A (0.84) AVPR1AAVPR2KCNH2OXTR
SCHEMBL20727593 0.89 AVPR1A (0.86) AVPR1AAVPR2KCNH2OXTR
SCHEMBL20727425 0.89 AVPR1A (0.86) AVPR1AAVPR2KCNH2OXTR
SCHEMBL20727409 0.89 AVPR1A (1.00) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5280988 0.88 AVPR1A (0.85) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5094865 0.88 AVPR1A (0.84) AVPR1AAVPR2KCNH2OXTR

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
EP-1656183-B1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LTD (GB) 2007-12-05 EP claimed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 WO disclosed