SCHEMBL7534271

SCHEMBL7534271

COc1cc(C(=O)N(C)c2ccccc2N2CCOCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KMT2A Q03164 5/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7423123 0.93 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL7975847 0.92 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL7417316 0.87 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL7423456 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7967859 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL7481778 0.80 BRPF1 (0.44) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7426296 0.80 MAPT (0.49) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7424257 0.80 KCNMA1 (0.46) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL7966612 0.80 MAPT (0.42) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL7965790 0.80 KCNMA1 (0.41) ALDH1A1KMT2AMEN1MAPTPKM

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