SCHEMBL4092749

SCHEMBL4092749

Nc1cccc(C(=O)NCCc2cccc3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.62
MTNR1B P49286 4/20 0.57
TRPV1 Q8NER1 3/20 0.57
NQO2 P16083 1/20 0.57
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CA2 P00918 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL3235168 0.86 TRPV1 (0.66) MTNR1AMTNR1BTRPV1NQO2CDK4
SCHEMBL3767060 0.86 CA2 (0.61) MTNR1ANQO2KDM4EALDH1A1MEN1
SCHEMBL5437839 0.86 MTNR1A (0.68) MTNR1AMTNR1BTRPV1NQO2CDK4
SCHEMBL4408801 0.85 MTNR1A (0.60) MTNR1AMTNR1BTRPV1NQO2CDK4
SCHEMBL28317202 0.83 HIF1A (0.63) TRPV1KDM4EALDH1A1
SCHEMBL27382856 0.81 MTNR1A (0.58) MTNR1AMTNR1BTRPV1NQO2KDM4E
SCHEMBL27382865 0.80 MTNR1A (0.56) MTNR1AMTNR1BTRPV1NQO2MEN1
SCHEMBL3237378 0.80 MTNR1A (0.56) MTNR1AMTNR1BTRPV1NQO2NPC1
SCHEMBL10630944 0.80 ALDH1A1 (0.57) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL7898025 0.77 MTNR1A (0.68) MTNR1AMTNR1BTRPV1NQO2ALDH1A1

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-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO disclosed