SCHEMBL30952643

SCHEMBL30952643

CCCCC(=O)NCCc1c[nH]c2cc(F)ccc12

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.71
MPO P05164 3/20 0.61
TRPV1 Q8NER1 6/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SPR P35270 1/20 0.57
NOTUM Q6P988 2/20 0.57
MTNR1B P49286 1/20 0.57
FAAH O00519 1/20 0.57
PTGS2 P35354 1/20 0.57

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
SCHEMBL31036033 0.91 MPO (0.75) MTNR1AMPOTRPV1SPRNOTUM
SCHEMBL30952642 0.87 MTNR1A (0.72) MTNR1ATRPV1MEN1KMT2AMTNR1B
SCHEMBL1131155 0.86 TRPV1 (0.78) MTNR1AMPOTRPV1SPRNOTUM
SCHEMBL30275087 0.86 HTR2A (0.63) MTNR1AMPOMEN1KMT2ASPR
SCHEMBL31381360 0.83 SPR (0.54) MTNR1AMPOMEN1KMT2ASPR
SCHEMBL1068274 0.83 MTNR1A (1.00) MTNR1ATRPV1MEN1KMT2A
SCHEMBL4488812 0.83 MTNR1A (0.81) MTNR1AMPOMEN1KMT2ASPR
SCHEMBL31381358 0.81 SPR (0.54) MTNR1AMPOTRPV1MEN1KMT2A
SCHEMBL28872473 0.81 SPR (0.62) MTNR1AMEN1KMT2ASPRNOTUM
SCHEMBL1129785 0.80 MTNR1A (0.77) MTNR1ATRPV1MEN1KMT2AMTNR1B

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
WO-2024140687-A1 S1PR2 REGULATOR AND USE THEREOF 北京昌平实验室 2024-07-04 WO disclosed
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed