SCHEMBL7018124

SCHEMBL7018124

COc1cc(C(=O)N2CCNC(=O)c3ccccc32)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
AVPR1A P37288 3/20 0.42
AVPR1B P47901 2/20 0.42
AVPR2 P30518 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
SIRT1 Q96EB6 2/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
CASP3 P42574 1/20 0.37
POLB P06746 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ROCK2 O75116 1/20 0.36

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
SCHEMBL7017226 0.89 AVPR1A (0.45) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7019167 0.86 AVPR2 (0.42) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL7016285 0.86 AVPR1A (0.44) AVPR1AAVPR1BAVPR2LMNAPDCD1
Hydrochloric Acid SCHEMBL7018912 0.85 AVPR1A (0.44) AVPR1AAVPR1BAVPR2LMNAPDCD1
Hydrochloric Acid SCHEMBL7024085 0.85 AVPR2 (0.42) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL7022859 0.83 BRD4 (0.47) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7019987 0.83 PDE4A (0.53) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7024187 0.82 AVPR2 (0.44) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7015488 0.82 AVPR1A (0.50) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7016054 0.82 PDE4A (0.41) AVPR1AAVPR1BAVPR2GFERRAB9A

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
EP-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed