SCHEMBL7568916

SCHEMBL7568916

CCCn1c(C)nc2c(C(=O)O)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
CNR1 P21554 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
NR1I2 O75469 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PPARG P37231 4/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PARP1 P09874 1/20 0.43
FABP4 P15090 2/20 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
SCHEMBL7480155 0.88 KMT2A (0.46) ALDH1A1KMT2AMAPK1PPARGKDM4E
SCHEMBL7485320 0.85 NPSR1 (0.44) CNR2ALDH1A1KMT2ACNR1HPGD
SCHEMBL6922941 0.80 PARP1 (0.46) ALDH1A1HPGDCYP1A2CYP2C19RECQL
SCHEMBL9847098 0.79 TLR8 (0.57) ALDH1A1KMT2AHPGDTSHRMAPK1
SCHEMBL24744761 0.77 KDM4E (0.46) ALDH1A1KMT2AHPGDTSHRPPARG
SCHEMBL30952847 0.77 KDM4E (0.46) ALDH1A1KMT2AHPGDTSHRPPARG
SCHEMBL30437463 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AHPGDRECQLHTT
SCHEMBL6126621 0.76 TLR8 (0.60) TSHRMAPK1MAPTSMN1; SMN2HTT
SCHEMBL8473603 0.75 CYP3A4 (0.44) ALDH1A1KMT2AHPGDMEN1TSHR
Hydrochloric Acid SCHEMBL6117482 0.75 TLR8 (0.58) TSHRMAPK1MAPTSMN1; SMN2HTT

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