SCHEMBL7514175

SCHEMBL7514175

CCOC(=O)CCCCCOc1ccccc1N(C)C(=O)c1ccc(N(C)C(=O)c2ccccc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.38
TSHR P16473 1/20 0.37
TBXAS1 P24557 3/20 0.37
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MDM2 Q00987 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HSP90AA1 P07900 1/20 0.36
LTA4H P09960 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7373541 0.90 ALDH1A1 (0.41) MCHR1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL7371273 0.90 MCHR1 (0.46) MCHR1TSHRTBXAS1RAB9AL3MBTL1
SCHEMBL7371612 0.86 L3MBTL1 (0.42) MCHR1TSHRTBXAS1RAB9AL3MBTL1
SCHEMBL7379977 0.85 CHRM2 (0.41) RAB9AMAPTLTA4HLMNATP53
SCHEMBL7373670 0.83 SMN1; SMN2 (0.43) MCHR1TSHRTBXAS1RAB9AL3MBTL1
SCHEMBL7376305 0.82 MAPT (0.48) RAB9AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7377960 0.82 MEN1 (0.46) MCHR1TSHRRAB9AALDH1A1HPGD
SCHEMBL7344313 0.80 MEN1 (0.45) ALDH1A1MAPTHTTGAA
SCHEMBL7340316 0.79 MAPT (0.40) TBXAS1RAB9AL3MBTL1ALDH1A1NPC1
SCHEMBL7375488 0.79 MCHR1 (0.47) MCHR1RAB9AL3MBTL1ALDH1A1LMNA

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-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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed