SCHEMBL7965069

SCHEMBL7965069

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(N3CCN(C)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
TP53 P04637 3/20 0.36
AVPR2 P30518 3/20 0.35
AVPR1A P37288 3/20 0.35
PTGES O14684 1/20 0.35
MAPT P10636 5/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
AVPR1B P47901 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
XBP1 P17861 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA1D P25100 2/20 0.33

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 SCHEMBL7966276 0.99 LMNA (0.36) LMNATP53AVPR2AVPR1APTGES
SCHEMBL7480849 0.94 AVPR2 (0.35) LMNATP53AVPR2AVPR1AALDH1A1
Hydrochloric Acid SCHEMBL7481449 0.93 AVPR2 (0.35) LMNATP53AVPR2AVPR1AAVPR1B
SCHEMBL7970925 0.93 AVPR2 (0.38) LMNATP53AVPR2AVPR1APTGES
Dimethylamine SCHEMBL7972125 0.93 AVPR2 (0.35) LMNATP53AVPR2AVPR1AALDH1A1
SCHEMBL7964762 0.93 AVPR2 (0.37) LMNATP53AVPR2AVPR1AALDH1A1
SCHEMBL7965063 0.92 PTGES (0.34) PTGESMAPK1SMN1; SMN2USP2ADRA1D
Hydrochloric Acid SCHEMBL7962267 0.92 AVPR2 (0.37) LMNATP53AVPR2AVPR1APTGES
SCHEMBL7962954 0.92 AVPR2 (0.34) LMNATP53AVPR2AVPR1AAVPR1B
Dimethylamine SCHEMBL7975691 0.92 AVPR2 (0.34) LMNATP53AVPR2AVPR1AAVPR1B

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