SCHEMBL6197461

SCHEMBL6197461

CC(=O)NCCn1ccc2ccc3sccc3c21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
MTNR1A P48039 12/20 0.47
MTNR1B P49286 11/20 0.47
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 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
SCHEMBL7286756 0.79 MAPK1 (0.66) MAPK1MTNR1AMTNR1BHPGDHSD17B10
SCHEMBL6197122 0.78 HTR2A (0.55) MAPK1MTNR1AMTNR1BOPRM1OPRK1
SCHEMBL7939024 0.76 HTR2A (0.41) HTR2AHTR2C
SCHEMBL8874163 0.74 MTNR1A (0.72) MAPK1MTNR1AMTNR1BHTR2C
SCHEMBL7278191 0.71 MAPK1 (0.58) MAPK1MTNR1AMTNR1BHPGDHSD17B10
SCHEMBL6196615 0.64 MAPK1 (0.43) MAPK1MTNR1AMTNR1BHPGDALOX15
SCHEMBL6717297 0.64 MAPK1 (0.68) MAPK1MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL27979414 0.64 MAPK1 (0.67) MAPK1MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL20808939 0.63 MAPK1 (0.51) MAPK1MTNR1AMTNR1BKDM4ETP53
SCHEMBL5777824 0.63 MAPK1 (0.66) MAPK1MTNR1AMTNR1BHSD17B10KDM4E

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
EP-0990650-B1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 EP disclosed
US-6245796-B1 NERVOUS SYSTEM DISORDERS; SEXUAL DISORDERS; SLEEP DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0990650-A1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-04-05 EP disclosed