SCHEMBL6967409

SCHEMBL6967409

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)c(C)c2)c2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.48
AVPR1A P37288 5/20 0.42
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
AVPR1B P47901 2/20 0.40
OXTR P30559 1/20 0.40
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
BACE1 P56817 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MTTP P55157 1/20 0.38

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
SCHEMBL6971642 0.94 AVPR2 (0.50) AVPR2AVPR1AAVPR1BOXTRBACE1
SCHEMBL6957034 0.93 AVPR2 (0.53) AVPR2AVPR1AAVPR1BOXTRBACE1
SCHEMBL6971739 0.93 AVPR1A (0.50) AVPR2AVPR1ALMNACYP2C9AVPR1B
SCHEMBL6966347 0.92 AVPR2 (0.44) AVPR2AVPR1ACYP2C9AVPR1BOXTR
SCHEMBL6969947 0.91 AVPR2 (0.58) AVPR2AVPR1ALMNACYP2C9AVPR1B
SCHEMBL6970903 0.88 AVPR2 (0.46) AVPR2AVPR1ACYP2C9AVPR1BOXTR
SCHEMBL6959303 0.87 AVPR1A (0.52) AVPR2AVPR1ALMNAAVPR1BMTTP
SCHEMBL7134697 0.86 AVPR2 (0.52) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6967424 0.85 AVPR2 (0.46) AVPR2AVPR1AAVPR1BOXTRMTTP
SCHEMBL6968185 0.85 AVPR1A (0.54) AVPR2AVPR1AAVPR1BMTTP

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