SCHEMBL7422802

SCHEMBL7422802

COC(=O)c1cccc2[nH]c(COCc3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
SRD5A2 P31213 1/20 0.43
NR4A2 P43354 4/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
GAA P10253 1/20 0.41
KIF11 P52732 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
CREBBP Q92793 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL16686988 0.80 MTNR1A (0.49) ALOX5NR4A2MTNR1AMTNR1BKDM4E
SCHEMBL7427823 0.80 MTNR1A (0.48) NR4A2MTNR1AMTNR1BCDK5CDK5R1
SCHEMBL7418911 0.78 MTNR1A (0.51) NR4A2MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL7423141 0.78 ALDH1A1 (0.51) SRD5A2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL9052001 0.78 MTNR1A (0.48) NR4A2MTNR1AMTNR1BKDM4ECDK5
SCHEMBL6993928 0.76 NR4A2 (0.46) ALOX5NR4A2MTNR1AMTNR1BCDK5
SCHEMBL5851095 0.73 ALDH1A1 (0.52) SRD5A2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL5618186 0.73 KDM4E (0.50) SRD5A2NR4A2KDM4EALDH1A1CDK5
SCHEMBL5851103 0.73 KDM4E (0.52) NR4A2KDM4EALDH1A1CDK5CDK5R1
SCHEMBL7422222 0.73 LMNA (0.41) SRD5A2KDM4EALDH1A1TSHRHSD17B10

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