SCHEMBL7422014

SCHEMBL7422014

COc1cc(C(=O)N(C)c2ccccc2N2CCOCC2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.45
AKR1C3 P42330 1/20 0.45
LMNA P02545 3/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
HSD11B1 P28845 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL7968869 0.89 KMT2A (0.49) SMN1; SMN2NPC1GAAMAPTMEN1
SCHEMBL7425044 0.88 DRD2 (0.46) SMN1; SMN2NPC1MEN1KMT2AMAPK1
SCHEMBL7426078 0.87 KDM4E (0.48) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL7424234 0.86 MAPT (0.47) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL7423456 0.84 ALDH1A1 (0.56) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL7376664 0.78 CYP1A2 (0.45) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL7378235 0.77 GPBAR1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL7534271 0.77 ALDH1A1 (0.57) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL7423134 0.76 PTPN1 (0.51) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL7419515 0.75 DRD2 (0.45) SMN1; SMN2NPC1MAPTMEN1KMT2A

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