SCHEMBL6971739

SCHEMBL6971739

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.50
AVPR1B P47901 7/20 0.50
AVPR2 P30518 12/20 0.47
CYP2C9 P11712 1/20 0.41
SPTLC2 O15270 1/20 0.40
LMNA P02545 2/20 0.40
MTTP P55157 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6959303 0.95 AVPR1A (0.52) AVPR1AAVPR1BAVPR2LMNAMTTP
SCHEMBL6968185 0.93 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6971506 0.93 AVPR1A (0.54) AVPR1AAVPR1BAVPR2CYP2C9SPTLC2
SCHEMBL6967409 0.93 AVPR2 (0.48) AVPR1AAVPR1BAVPR2CYP2C9LMNA
SCHEMBL6969947 0.89 AVPR2 (0.58) AVPR1AAVPR1BAVPR2CYP2C9LMNA
SCHEMBL6964965 0.89 AVPR1A (0.50) AVPR1AAVPR1BAVPR2CYP2C9MTTP
SCHEMBL8961732 0.87 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6971642 0.87 AVPR2 (0.50) AVPR1AAVPR1BAVPR2MTTPTP53
SCHEMBL6965230 0.87 AVPR1A (0.56) AVPR1AAVPR1BAVPR2LMNAMTTP
SCHEMBL6970821 0.85 AVPR1A (0.57) AVPR1AAVPR1BAVPR2MTTP

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