SCHEMBL7538522

SCHEMBL7538522

COc1cc(C(=O)N(C)c2ccccc2N2CCOCC2)ccc1C(=O)Nc1cccc2c1ncn2C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.42
ALDH1A1 P00352 10/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HCRTR1 O43613 1/20 0.38
POLB P06746 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
SCHEMBL7598283 0.89 IRAK4 (0.38) BRPF1GAAMAPTMEN1KMT2A
SCHEMBL7534090 0.83 RXFP1 (0.33) BRPF1ALDH1A1HTTMAPTMEN1
SCHEMBL7599052 0.82 HTT (0.49) BRPF1ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL7969233 0.82 KMT2A (0.42) BRPF1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL7424234 0.76 MAPT (0.47) ALDH1A1HTTSMN1; SMN2TSHRGAA
SCHEMBL7426078 0.75 KDM4E (0.48) ALDH1A1HTTSMN1; SMN2TSHRGAA
SCHEMBL7481778 0.75 BRPF1 (0.44) BRPF1ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL7534660 0.74 MEN1 (0.35) BRPF1ALDH1A1HTTTSHRMAPT
SCHEMBL7973753 0.73 KMT2A (0.46) BRPF1ALDH1A1GAAMAPTMEN1
SCHEMBL7594888 0.73 KMT2A (0.45) BRPF1ALDH1A1SMN1; SMN2TSHRMAPT

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