SCHEMBL7235758

SCHEMBL7235758

COc1ccc2ccccc2c1[C@@H]1C[C@H]1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
FPR1 P21462 1/20 0.38

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
SCHEMBL7235756 1.00 MTNR1A (0.54) MTNR1AMTNR1BMAPTKMT2AHPGD
SCHEMBL7228935 0.83 MTNR1A (0.56) MTNR1AMTNR1BTP53
SCHEMBL7228928 0.83 MTNR1A (0.56) MTNR1AMTNR1BTP53
SCHEMBL7006460 0.79 MTNR1A (0.59) MTNR1AMTNR1BMAPTKMT2AHPGD
SCHEMBL7237888 0.79 MTNR1A (0.59) MTNR1AMTNR1BMAPTKMT2AHPGD
SCHEMBL7094962 0.73 MAPT (0.56) MTNR1AMTNR1BMAPTKMT2AHPGD
Ammonia Solution, Strong SCHEMBL27509223 0.72 MAPT (0.55) MTNR1AMTNR1BMAPTKMT2AHPGD
SCHEMBL7010711 0.72 MTNR1A (0.51) MTNR1AMTNR1BMAPTKMT2AHPGD
SCHEMBL7004821 0.70 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL7007379 0.70 MTNR1A (0.65) MTNR1AMTNR1B

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
US-6583319-B1 Treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-06-24 US disclosed