SCHEMBL6964451

SCHEMBL6964451

COc1cc(C(=O)N2CCC(=O)N(CCN(C)C)c3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.49
AVPR1B P47901 8/20 0.49
AVPR2 P30518 13/20 0.48
IGF1R P08069 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL6970609 0.91 AVPR1A (0.54) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6960071 0.89 AVPR1A (0.53) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL8961772 0.87 AVPR1A (0.54) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6970362 0.87 AVPR1A (0.49) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6957577 0.86 AVPR1A (0.49) AVPR1AAVPR1BAVPR2HTR1DHTR1B
SCHEMBL6968625 0.86 AVPR2 (0.56) AVPR1AAVPR1BAVPR2
SCHEMBL6958544 0.84 AVPR2 (0.57) AVPR1AAVPR1BAVPR2
SCHEMBL6969281 0.83 AVPR1A (0.51) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6960321 0.82 AVPR1A (0.52) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6968029 0.81 AVPR2 (0.61) AVPR1AAVPR1BAVPR2

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed