SCHEMBL11035258

SCHEMBL11035258

CN(C(=O)CC(c1ccccc1)c1ccccc1)C1CCOc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
CCR5 P51681 3/20 0.41
TACR1 P25103 4/20 0.40
ALDH1A1 P00352 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.37
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL21798459 0.82 SSTR4 (0.40) TRPM8ALDH1A1XBP1HTTHPGD
SCHEMBL21798464 0.82 SSTR4 (0.40) TRPM8ALDH1A1XBP1HTTHPGD
SCHEMBL12269707 0.79 GAA (0.41) TRPM8ALDH1A1XBP1HTT
SCHEMBL7497632 0.79 LTA4H (0.44) ALDH1A1XBP1HTTHPGDMAPT
SCHEMBL19652242 0.78 CNR1 (0.38) TRPM8ALDH1A1XBP1HTT
SCHEMBL7511855 0.77 KMT2A (0.48) ALDH1A1XBP1HTTKMT2A
SCHEMBL7505462 0.77 KMT2A (0.48) ALDH1A1XBP1HTTKMT2A
SCHEMBL7497638 0.76 CHRM2 (0.42) ALDH1A1XBP1HTTKMT2AHPGD
SCHEMBL7497644 0.76 CHRM2 (0.42) ALDH1A1XBP1HTTKMT2AHPGD
SCHEMBL10407578 0.74 TRPM8 (0.42) TRPM8ALDH1A1CYP2D6CYP2C9GLA

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
JP-59110690-A None JP disclosed
JP-S59110690-A BENZOPYRAN DERIVATIVE DAI ICHI SEIYAKU CO LTD 1984-06-26 JP disclosed