SCHEMBL7039508

SCHEMBL7039508

Cc1c(Cl)cccc1NC(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.44
MCHR1 Q99705 6/20 0.44
ADRA2A P08913 5/20 0.44
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EPHX1 P07099 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7039512 1.00 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1MCHR1ADRA2A
SCHEMBL6462318 0.93 RAB9A (0.50) SMN1; SMN2TSHRMCHR1ADRA2AEPHX2
SCHEMBL6462316 0.93 RAB9A (0.50) SMN1; SMN2TSHRMCHR1ADRA2AEPHX2
SCHEMBL6877566 0.91 RXFP1 (0.45) SMN1; SMN2TSHRMCHR1ADRA2ALMNA
SCHEMBL6877576 0.91 RXFP1 (0.45) SMN1; SMN2TSHRMCHR1ADRA2ALMNA
SCHEMBL6873339 0.90 ALDH1A1 (0.58) SMN1; SMN2TSHRALDH1A1MCHR1ADRA2A
SCHEMBL6873332 0.90 ALDH1A1 (0.58) SMN1; SMN2TSHRALDH1A1MCHR1ADRA2A
SCHEMBL6867931 0.89 TP53 (0.46) SMN1; SMN2TSHRMCHR1ADRA2ANPC1
SCHEMBL6867927 0.89 TP53 (0.46) SMN1; SMN2TSHRMCHR1ADRA2ANPC1
SCHEMBL6880627 0.88 RXFP1 (0.49) SMN1; SMN2MCHR1ADRA2AEPHX2LMNA

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