SCHEMBL7968869

SCHEMBL7968869

COc1cc(C(=O)N(C)c2ccccc2N2CCCCC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD11B1 P28845 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
GPR6 P46095 1/20 0.43
GAA P10253 6/20 0.42
POLB P06746 2/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
PTPN1 P18031 2/20 0.42
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 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
SCHEMBL7425044 0.90 DRD2 (0.46) KMT2AMEN1KDM4ESMN1; SMN2HSD11B1
SCHEMBL7422014 0.89 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2HSD11B1NPC1
SCHEMBL7423134 0.86 PTPN1 (0.51) KMT2AMEN1KDM4ENPSR1SMN1; SMN2
SCHEMBL7418271 0.85 KMT2A (0.47) KMT2AMEN1KDM4ENPSR1SMN1; SMN2
SCHEMBL7967067 0.83 ALDH1A1 (0.55) KMT2AMEN1KDM4ENPSR1SMN1; SMN2
SCHEMBL7376664 0.80 CYP1A2 (0.45) KMT2AMEN1SMN1; SMN2HSD11B1RAB9A
SCHEMBL7378235 0.79 GPBAR1 (0.45) KMT2AMEN1SMN1; SMN2HSD11B1ALDH1A1
SCHEMBL7419515 0.77 DRD2 (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7423123 0.76 ALDH1A1 (0.55) KMT2AMEN1KDM4ENPSR1SMN1; SMN2
SCHEMBL7430332 0.76 MAPT (0.46) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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
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