SCHEMBL5281487

SCHEMBL5281487

Fc1cc2c(cc1F)-n1c(nnc1C1CCN(c3ccccn3)CC1)COC2

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.76
AVPR2 P30518 3/20 0.53
KCNH2 Q12809 3/20 0.53

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 SCHEMBL5098224 0.99 AVPR1A (0.75) AVPR1AAVPR2KCNH2
SCHEMBL5094927 0.89 AVPR1A (0.79) AVPR1AAVPR2KCNH2
SCHEMBL5098399 0.87 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5094751 0.85 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5094839 0.85 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5276171 0.85 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5094904 0.85 AVPR1A (0.75) AVPR1AAVPR2KCNH2
Hydrochloric Acid SCHEMBL5107787 0.85 AVPR1A (0.98) AVPR1AAVPR2KCNH2
SCHEMBL5281705 0.83 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5108408 0.83 AVPR1A (0.79) AVPR1AAVPR2KCNH2

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-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