SCHEMBL7966792

SCHEMBL7966792

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR4 Q13639 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7345676 0.90 KMT2A (0.43) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7966271 0.90 AVPR2 (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL7338964 0.89 KMT2A (0.43) HPGDKMT2AMEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7780674 0.89 KMT2A (0.42) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7335732 0.86 ALDH1A1 (0.43) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7424282 0.86 AVPR2 (0.49) HPGDKMT2AMEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7342854 0.86 NPC1 (0.43) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7336940 0.86 LMNA (0.41) HPGDKMT2AALDH1A1AVPR2AVPR1A
SCHEMBL7345034 0.86 AVPR2 (0.40) HPGDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8662244 0.85 AVPR2 (0.47) HPGDKMT2AMEN1ALDH1A1CYP1A2

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