SCHEMBL8629672

SCHEMBL8629672

CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(OCCCCCCCCO)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.65
MTNR1B P49286 11/20 0.65
LTA4H P09960 2/20 0.59
PLA2G2A P14555 2/20 0.59
HTR1A P08908 5/20 0.55
HTR1B P28222 4/20 0.55
HTR1D P28221 3/20 0.55
TRPM8 Q7Z2W7 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A1 P04798 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
NQO2 P16083 1/20 0.53
HTR2B P41595 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL14907343 0.92 HTR1A (0.66) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL14907340 0.92 HTR1A (0.66) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8881982 0.91 MTNR1A (0.58) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8626837 0.91 HTR1A (0.65) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8624581 0.90 MTNR1A (0.57) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8880875 0.90 MTNR1A (0.59) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8624381 0.90 HTR1A (0.63) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8626639 0.89 HTR1A (0.59) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8880324 0.89 MTNR1A (0.60) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL14961084 0.87 TRPM8 (0.63) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A

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