SCHEMBL7968217

SCHEMBL7968217

CCOC(=O)CCCCCOc1cc(C)ccc1N(C)C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2NC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 6/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
GRM5 P41594 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7422827 0.90 POLB (0.36) POLBALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7374507 0.83 MAPT (0.43) POLBALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7377966 0.83 MTTP (0.41) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7426873 0.82 POLB (0.44) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL7369597 0.81 MEN1 (0.39) POLBALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL7371186 0.81 AVPR2 (0.42) ALDH1A1
SCHEMBL7374237 0.81 MEN1 (0.39) POLBALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL7477256 0.81 POLB (0.35) POLBALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7337480 0.79 TP53 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL7341077 0.79 ALDH1A1 (0.54) POLBALDH1A1KDM4ESMN1; SMN2HPGD

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