SCHEMBL5280459

SCHEMBL5280459

c1ccc(N2CCC(c3nnc4n3-c3ccccc3CCOC4)CC2)nc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.83
AVPR2 P30518 3/20 0.55
KCNH2 Q12809 3/20 0.55

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 SCHEMBL5098337 0.99 AVPR1A (0.81) AVPR1AAVPR2KCNH2
SCHEMBL5098399 0.91 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5101678 0.90 AVPR1A (0.66) AVPR1AAVPR2KCNH2
SCHEMBL5102104 0.89 AVPR1A (0.84) AVPR1AAVPR2KCNH2
SCHEMBL5094927 0.81 AVPR1A (0.79) AVPR1AAVPR2KCNH2
SCHEMBL5094751 0.81 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5094839 0.81 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5288479 0.81 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5102009 0.80 AVPR1A (1.00) AVPR1AAVPR2KCNH2
SCHEMBL5281487 0.80 AVPR1A (0.76) 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 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