SCHEMBL7418271

SCHEMBL7418271

COC(=O)c1ccc(C(=O)N(C)c2ccccc2N2CCCCC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
PTPN1 P18031 2/20 0.43
GPR6 P46095 1/20 0.42
S1PR1 P21453 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL7430332 0.91 MAPT (0.46) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7423134 0.91 PTPN1 (0.51) KMT2AMEN1NPSR1SMN1; SMN2KDM4E
SCHEMBL7424234 0.90 MAPT (0.47) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7968869 0.85 KMT2A (0.49) KMT2AMEN1NPSR1SMN1; SMN2KDM4E
SCHEMBL7965105 0.84 L3MBTL1 (0.46) KMT2ASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7967067 0.82 ALDH1A1 (0.55) KMT2AMEN1NPSR1SMN1; SMN2KDM4E
SCHEMBL7419515 0.81 DRD2 (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7426078 0.80 KDM4E (0.48) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7425303 0.79 KMT2A (0.72) KMT2AMEN1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL7973753 0.78 KMT2A (0.46) KMT2AMEN1NPSR1ALDH1A1MAPT

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