SCHEMBL8624581

SCHEMBL8624581

CCOCCCCCCOc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.57
MTNR1B P49286 11/20 0.57
LTA4H P09960 2/20 0.57
PLA2G2A P14555 2/20 0.57
TRPM8 Q7Z2W7 1/20 0.56
HTR1A P08908 5/20 0.56
HTR1D P28221 4/20 0.56
HTR1B P28222 4/20 0.56
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTR2A P28223 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL8626639 0.93 HTR1A (0.59) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8
SCHEMBL14907340 0.92 HTR1A (0.66) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8
SCHEMBL14907343 0.92 HTR1A (0.66) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8
SCHEMBL8629672 0.90 MTNR1A (0.65) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8
SCHEMBL8626837 0.90 HTR1A (0.65) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8
SCHEMBL8881982 0.90 MTNR1A (0.58) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8
SCHEMBL14961084 0.89 TRPM8 (0.63) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8
SCHEMBL8880875 0.89 MTNR1A (0.59) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8
SCHEMBL8624381 0.88 HTR1A (0.63) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8
SCHEMBL8880324 0.87 MTNR1A (0.60) MTNR1AMTNR1BLTA4HPLA2G2ATRPM8

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
EP-0666847-B1 TRYPTAMINE ANALOGS WITH 5-HT1D SELECTIVITY ALLELIX BIOPHARMA (CA) 1998-06-17 EP disclosed
US-5496957-A 5-HYDOXYTRYPTAMINE VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-03-05 US disclosed
EP-0666847-A1 TRYPTAMINE ANALOGS WITH 5-HT1D SELECTIVITY Allelix Biopharmaceuticals Inc. (CA) 1995-08-16 EP disclosed
WO-1995006638-A1 TRYPTAMINE ANALOGS WITH 5-HT1D SELECTIVITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1995-03-09 WO disclosed