SCHEMBL31036086

SCHEMBL31036086

CCCCC(=O)NCCc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.87
MTNR1B P49286 7/20 0.87
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
ALDH1A1 P00352 2/20 0.71
KDM4E B2RXH2 1/20 0.71
CYP1A1 P04798 1/20 0.71
MPO P05164 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
HTR1A P08908 1/20 0.71
CYP2D6 P10635 1/20 0.71
HPGD P15428 1/20 0.71
NQO2 P16083 1/20 0.71
HTR2B P41595 1/20 0.71
RAB9A P51151 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
CYP1B1 Q16678 1/20 0.71
NOTUM Q6P988 1/20 0.71

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
SCHEMBL8571512 0.96 MTNR1A (0.92) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL7505689 0.96 MTNR1A (0.92) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL1129551 0.96 MTNR1A (0.92) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL5616635 0.94 MTNR1A (0.85) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL3815621 0.91 MTNR1A (0.83) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL19051465 0.90 MTNR1A (0.85) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL155073 0.89 TRPV1 (0.78) MTNR1AMTNR1BTRPV1FAAH
SCHEMBL155072 0.89 TRPV1 (0.78) MTNR1AMTNR1BTRPV1FAAH
SCHEMBL5612765 0.89 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL16137407 0.88 MTNR1A (0.81) MTNR1AMTNR1BKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed