SCHEMBL7430655

SCHEMBL7430655

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(CN3CCN(C)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.34
CACNA1G O43497 1/20 0.34
AVPR2 P30518 3/20 0.34
AVPR1A P37288 3/20 0.34
AVPR1B P47901 2/20 0.34
ALK Q9UM73 1/20 0.34
HDAC3 O15379 1/20 0.33
BRD4 O60885 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33

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
Hydrochloric Acid SCHEMBL7964462 0.99 MAP3K7 (0.34) MAP3K7CACNA1GAVPR2AVPR1AAVPR1B
SCHEMBL7967134 0.98 AVPR2 (0.35) MAP3K7CACNA1GAVPR2AVPR1AAVPR1B
SCHEMBL7954419 0.97 AVPR2 (0.35) MAP3K7CACNA1GAVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7970772 0.97 AVPR2 (0.35) MAP3K7CACNA1GAVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7962024 0.97 AVPR2 (0.35) MAP3K7CACNA1GAVPR2AVPR1AAVPR1B
SCHEMBL7966975 0.96 KDM4E (0.35) HDAC1EGFRKDR
Hydrochloric Acid SCHEMBL7978179 0.96 KDM4E (0.35) HDAC1EGFRKDR
SCHEMBL7961981 0.95 MAP3K7 (0.35) MAP3K7AVPR2AVPR1AAVPR1BHDAC3
Hydrochloric Acid SCHEMBL7962051 0.94 MAP3K7 (0.35) MAP3K7AVPR2AVPR1AAVPR1BHDAC3
SCHEMBL7962166 0.94 AVPR2 (0.35) MAP3K7AVPR2AVPR1AAVPR1BHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed