SCHEMBL7534090

SCHEMBL7534090

COc1cc(C(=O)N(C)c2ccccc2C2=NC(C)(C)CO2)ccc1C(=O)Nc1cccc2c1ncn2C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
F10 P00742 2/20 0.33
BRPF1 P55201 2/20 0.33
BRD4 O60885 1/20 0.33
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
NR1H4 Q96RI1 3/20 0.32
GPR119 Q8TDV5 1/20 0.31
NPC1 O15118 1/20 0.31
TYK2 P29597 1/20 0.31
TP53 P04637 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7538522 0.83 BRPF1 (0.42) BRPF1MEN1KMT2ALMNAMAPT
SCHEMBL7598283 0.83 IRAK4 (0.38) RXFP1IRAK4BRPF1BRD4RAB9A
SCHEMBL7594101 0.81 BRD4 (0.40) RXFP1IRAK4F10BRD4RAB9A
Hydrochloric Acid SCHEMBL7969803 0.81 BRD4 (0.40) RXFP1IRAK4F10BRD4RAB9A
SCHEMBL7423430 0.79 PIK3CA (0.36) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL7967008 0.77 PIK3CA (0.36) RAB9ALMNAMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7593069 0.77 PTGES (0.35) RXFP1IRAK4F10RAB9AMEN1
SCHEMBL7534660 0.76 MEN1 (0.35) RXFP1IRAK4BRPF1BRD4RAB9A
SCHEMBL7963323 0.74 DHODH (0.37) RXFP1IRAK4MAPTTYK2TP53
Hydrochloric Acid SCHEMBL7594361 0.73 DHODH (0.36) RXFP1IRAK4BRPF1BRD4RAB9A

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