SCHEMBL7954650

SCHEMBL7954650

O=C(c1ccc(-c2csc(Cl)c2)cc1Cl)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.64
AVPR1A P37288 11/20 0.60
OXTR P30559 2/20 0.59

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
SCHEMBL7508210 0.86 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL7446691 0.85 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL7942733 0.85 AVPR2 (0.63) AVPR2AVPR1AOXTR
SCHEMBL7223918 0.83 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL4147136 0.82 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL4151073 0.82 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL7454551 0.82 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL6623964 0.81 AVPR2 (0.82) AVPR2AVPR1AOXTR
SCHEMBL4535815 0.81 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL5835856 0.81 AVPR2 (0.71) AVPR2AVPR1AOXTR

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
US-6297234-B1 Arylthiophene vasopressin agonists AMERICAN HOME PRODUCTS CORPORATION 2001-10-02 US claimed
US-6297234-B1 Arylthiophene vasopressin agonists AMERICAN HOME PRODUCTS CORPORATION 2001-10-02 US disclosed
US-6268360-B1 URINATION DELAY AMERICAN HOME PRODUCTS CORPORATION 2001-07-31 US disclosed