SCHEMBL9054622

SCHEMBL9054622

COc1ccc2[nH]cc(CCC(=O)Nc3ccncc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.66
MTNR1B P49286 7/20 0.66
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
MAPT P10636 4/20 0.58
KDM4E B2RXH2 4/20 0.57
CYP2D6 P10635 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A1 P04798 1/20 0.57
MPO P05164 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
HTR1A P08908 1/20 0.57
HPGD P15428 1/20 0.57
NQO2 P16083 1/20 0.57
HTR2B P41595 1/20 0.57
RAB9A P51151 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 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
SCHEMBL8806497 0.83 SNCA (0.56) MTNR1AMTNR1BALDH1A1HPGDRAB9A
SCHEMBL10670286 0.82 MTNR1A (0.71) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL3018752 0.80 MTNR1A (0.70) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL4889276 0.79 MTNR1A (0.70) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL3024961 0.79 KDM4E (0.75) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL9208268 0.78 MEN1 (0.66) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL9207220 0.78 MEN1 (0.66) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL12845365 0.77 HTR2A (0.61) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL12782281 0.76 MAPT (0.61) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL5616635 0.75 MTNR1A (0.85) MTNR1AMTNR1BKMT2AMEN1MAPT

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
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed