SCHEMBL13794780

SCHEMBL13794780

COc1ccc2[nH]c(C(=O)NC[C@H]3CC[C@@H](Nc4nc(N(C)C)c5ccccc5n4)CC3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.58
▸ ADRA2A P08913 16/20 0.58
▸ NPY5R Q15761 5/20 0.56
▸ KDM4E B2RXH2 2/20 0.51
▸ HTR1A P08908 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL13797190 0.90 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794022 0.90 MCHR1 (0.70) MCHR1ADRA2ANPY5RKDM4EHTR1A
SCHEMBL13797196 0.90 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797104 0.84 MCHR1 (0.69) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797081 0.84 MCHR1 (0.65) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13792809 0.84 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793486 0.84 MCHR1 (0.79) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793450 0.84 ADRA2A (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794320 0.83 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795291 0.81 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
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