SCHEMBL13673154

SCHEMBL13673154

COc1ccc(I)c(CCNC(C)=O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.62
MTNR1B P49286 15/20 0.62
HTR2B P41595 2/20 0.60
HTR2C P28335 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
NQO2 P16083 5/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A1 P04798 1/20 0.59
MPO P05164 1/20 0.59
HTR1A P08908 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL18183442 0.84 MTNR1B (0.84) MTNR1AMTNR1BHTR2BHTR2C
SCHEMBL1094979 0.83 MTNR1A (0.63) MTNR1AMTNR1BNQO2
SCHEMBL11304565 0.82 MTNR1A (0.66) MTNR1AMTNR1BHTR2BHTR2CSMN1; SMN2
SCHEMBL7313971 0.80 LMNA (0.56) MTNR1AMTNR1BSMN1; SMN2CYP1A2CYP3A4
SCHEMBL8230324 0.80 HTR2A (0.54) MTNR1AMTNR1BHTR2C
SCHEMBL8070269 0.79 MTNR1A (0.71) MTNR1AMTNR1BHTR2BHTR2C
SCHEMBL7314187 0.77 POLB (0.65) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7320887 0.77 MEN1 (0.65) MTNR1AMTNR1BMEN1RAB9AKMT2A
SCHEMBL7308036 0.76 HSD17B10 (0.50) MTNR1AMTNR1BSMN1; SMN2CYP1A2CYP3A4
SCHEMBL8608340 0.76 MTNR1A (0.71) MTNR1AMTNR1BHTR2BHTR2C

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
EP-2111859-A1 5HT2C receptor modulator compositions and methods of use Arena Pharmaceuticals, Inc. (US) 2009-10-28 EP disclosed