SCHEMBL9530835

SCHEMBL9530835

O=C(NCCCc1c[nH]c2ccc(OCc3ccc4ccccc4n3)cc12)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.61
LTA4H P09960 4/20 0.53
PLA2G2A P14555 4/20 0.53
SLC6A4 P31645 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
CYSLTR1 Q9Y271 2/20 0.49
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
HTR1D P28221 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47

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
SCHEMBL9529112 0.81 FFAR1 (0.62) TRPM8LTA4HPLA2G2AMEN1KMT2A
SCHEMBL852640 0.77 TRPM8 (0.66) TRPM8LTA4HPLA2G2APOLBMTNR1A
SCHEMBL9530636 0.77 GPBAR1 (0.62) CYSLTR1
SCHEMBL8802625 0.76 FAAH (0.76) TRPM8LTA4HPLA2G2AMEN1KMT2A
SCHEMBL9202068 0.76 CYSLTR1 (0.53) CYSLTR1CYSLTR2
SCHEMBL8539274 0.74 GPBAR1 (0.63) CYSLTR1CYSLTR2
SCHEMBL10550119 0.74 TRPM8 (0.66) TRPM8LTA4HPLA2G2AMTNR1AMTNR1B
SCHEMBL8802846 0.73 TRPM8 (0.68) TRPM8KDM4EMAPT
SCHEMBL9209634 0.73 CYSLTR1 (0.59) CYSLTR1CYSLTR2
SCHEMBL5179389 0.72 LTA4H (0.79) TRPM8LTA4HPLA2G2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP disclosed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO disclosed