SCHEMBL13794305

SCHEMBL13794305

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3sc4ccccc4c3Cl)CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 15/20 0.56
▸ ADRA2A P08913 14/20 0.56
▸ NPY5R Q15761 5/20 0.56
▸ HTR1A P08908 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL13793895 0.91 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794167 0.89 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794300 0.86 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794204 0.85 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794128 0.84 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797202 0.84 NPY5R (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793474 0.84 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793682 0.84 MCHR1 (0.63) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794290 0.84 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795328 0.83 MCHR1 (0.55) 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
Send feedback