SCHEMBL7378153

SCHEMBL7378153

CCOC(=O)CCCCCOc1cc(C)ccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.40
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 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
SCHEMBL7373910 0.95 AVPR2 (0.41) AVPR2KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL7374776 0.92 L3MBTL1 (0.41) KMT2ASMN1; SMN2MEN1MAPTPOLB
SCHEMBL7372866 0.90 MAPT (0.42) AVPR2KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL7374905 0.89 AVPR2 (0.41) AVPR2KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL7335541 0.89 KMT2A (0.40) AVPR2KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL7376574 0.89 AVPR2 (0.42) AVPR2KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL7374760 0.88 AVPR2 (0.43) AVPR2KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL7378099 0.88 L3MBTL1 (0.43) KMT2ASMN1; SMN2MEN1MAPTPOLB
SCHEMBL7336962 0.87 MAPT (0.50) AVPR2KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL7370807 0.87 KMT2A (0.45) AVPR2KMT2ASMN1; SMN2MEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed