SCHEMBL7597506

SCHEMBL7597506

COc1cc(C(=O)N(C)c2ccccc2C2=NC3(CCCC3)CO2)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 3/20 0.33
LMNA P02545 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
DHODH Q02127 1/20 0.33
CASP3 P42574 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
F10 P00742 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
THRB P10828 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32

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
Hydrochloric Acid SCHEMBL7970610 0.99 RAB9A (0.33) RAB9AMEN1KMT2AMAPTTP53
SCHEMBL7971993 0.87 TUBB4A (0.36) RAB9AMEN1KMT2AMAPTTP53
SCHEMBL7953969 0.87 TUBB4A (0.40) RAB9AMEN1KMT2AMAPTTP53
Hydrochloric Acid SCHEMBL7593178 0.87 TUBB4A (0.35) RAB9AMEN1KMT2AMAPTTP53
Hydrochloric Acid SCHEMBL7593255 0.86 TUBB4A (0.39) RAB9AMEN1KMT2AMAPTTP53
SCHEMBL7485636 0.83 PIK3CA (0.35) RAB9AMAPTHTTNPC1F10
SCHEMBL7963323 0.83 DHODH (0.37) MAPTTP53DHODHCASP3HTT
Hydrochloric Acid SCHEMBL7594361 0.82 DHODH (0.36) RAB9AMAPTTP53DHODHCASP3
Hydrochloric Acid SCHEMBL7593069 0.82 PTGES (0.35) RAB9AMEN1KMT2AMAPTTP53
SCHEMBL7594125 0.81 TUBB4A (0.40) RAB9AMEN1KMT2AMAPTTP53

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