SCHEMBL5254206

SCHEMBL5254206

COc1cccc(C[CH]CNC(=O)C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP13 P45452 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NQO2 P16083 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL505546 0.82 ALDH1A1 (0.63) ALDH1A1HTTSMN1; SMN2MMP13MEN1
SCHEMBL1095100 0.80 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL5073633 0.78 MTNR1A (0.71) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL1905739 0.78 MTNR1A (0.46) MTNR1AMTNR1BNQO2
SCHEMBL8305017 0.75 TAAR1 (0.58)
SCHEMBL3293355 0.73 TAAR1 (0.52) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL1096460 0.73 TAAR1 (0.52) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL1094980 0.72 TAAR1 (0.48) MTNR1AMTNR1BALDH1A1HTTSMN1; SMN2
SCHEMBL7746095 0.71 TAAR1 (0.53)
SCHEMBL248658 0.70 CHRM2 (0.57) ALDH1A1HTTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833473-A2 5HT2C RECEPTOR MODULATOR COMPOSITIONS AND METHODS OF USE Arena Pharmaceuticals, Inc. (US) 2007-09-19 EP disclosed
WO-2006071740-A2 5HT2C RECEPTOR MODULATOR COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed
EP-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 EP disclosed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed