SCHEMBL3240519

SCHEMBL3240519

CNc1ccc(C)c(C(=O)NCCc2cccc3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.56
NQO2 P16083 6/20 0.47
MTNR1B P49286 5/20 0.47
TRPV1 Q8NER1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 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
SCHEMBL3235212 0.89 MTNR1A (0.54) MTNR1ANQO2MTNR1B
SCHEMBL3237378 0.85 MTNR1A (0.56) MTNR1ANQO2MTNR1BTRPV1SMN1; SMN2
SCHEMBL3232172 0.84 SMN1; SMN2 (0.62) MTNR1ANQO2MTNR1BTRPV1SMN1; SMN2
SCHEMBL3226619 0.81 MAPT (0.51) MTNR1ASMN1; SMN2NPC1RAB9A
SCHEMBL7898025 0.78 MTNR1A (0.68) MTNR1ANQO2MTNR1BTRPV1NPC1
SCHEMBL27724020 0.75 MTNR1A (0.73) MTNR1ANQO2MTNR1B
SCHEMBL3486077 0.75 MTNR1A (0.62) MTNR1ANQO2MTNR1BTRPV1SMN1; SMN2
SCHEMBL1567114 0.74 MTNR1A (0.73) MTNR1ANQO2MTNR1BTRPV1CA12
SCHEMBL2608948 0.73 MTNR1A (0.68) MTNR1ANQO2MTNR1BTRPV1
SCHEMBL5437839 0.73 MTNR1A (0.68) MTNR1ANQO2MTNR1BTRPV1CA2

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-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 WO disclosed