SCHEMBL6878705

SCHEMBL6878705

CC(C)c1ccccc1NC(=S)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
MCHR1 Q99705 2/20 0.42
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6878715 1.00 GLA (0.48) GLAMCHR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6873669 0.89 MCHR1 (0.42) MCHR1KDM4ESMN1; SMN2LMNAADRA2A
SCHEMBL6873662 0.89 MCHR1 (0.42) MCHR1KDM4ESMN1; SMN2LMNAADRA2A
SCHEMBL6872148 0.88 ALDH1A1 (0.55) MCHR1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL6872143 0.88 ALDH1A1 (0.55) MCHR1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL6877014 0.88 KDM4E (0.41) GLAMCHR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6877017 0.88 KDM4E (0.41) GLAMCHR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6879529 0.86 MCHR1 (0.43) MCHR1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL6879533 0.86 MCHR1 (0.43) MCHR1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL6877624 0.86 GAA (0.51) MCHR1KDM4ESMN1; SMN2ALDH1A1LMNA

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed