SCHEMBL7344295

SCHEMBL7344295

CC1(C)CCCN(C(=O)c2ccc(NC(=O)Cc3ccccc3Cl)cc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.47
THRB P10828 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
AVPR1A P37288 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
AVPR1B P47901 1/20 0.42
AVPR2 P30518 1/20 0.42

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
SCHEMBL4682762 0.78 AVPR1A (0.64) AVPR1AAVPR1BAVPR2
SCHEMBL7365651 0.77 AVPR1A (0.67) AVPR1AAVPR2
SCHEMBL6986447 0.77 AVPR1A (0.71) KCNQ2THRBKCNJ5KCNJ3AVPR1A
SCHEMBL8561675 0.77 NAMPT (0.50) KCNQ2THRBKCNJ5KCNJ3AVPR1A
SCHEMBL7344301 0.76 THRB (0.49) KCNQ2THRBKCNJ5KCNJ3AVPR1A
SCHEMBL6987453 0.76 AVPR1A (0.62) KCNQ2THRBAVPR1AAVPR1BAVPR2
SCHEMBL8318866 0.75 KCNJ5 (0.47) KCNQ2THRBKCNJ5KCNJ3AVPR2
SCHEMBL7340964 0.74 KCNJ5 (0.48) KCNQ2THRBKCNJ5KCNJ3SMN1; SMN2
SCHEMBL8559196 0.74 THRB (0.55) THRBKCNJ5KCNJ3
SCHEMBL8556372 0.74 KCNJ5 (0.51) KCNQ2THRBKCNJ5KCNJ3AVPR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed