SCHEMBL8771938

SCHEMBL8771938

CC(CSc1ccccc1)N[C@H](C(N)=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.57
MTNR1B P49286 7/20 0.57
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR1 O14842 1/20 0.39
SDCBP O00560 3/20 0.38
SDC2 P34741 3/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9222095 0.77 MTNR1A (0.48) MTNR1AMTNR1BMAOAMAOBNPC1
SCHEMBL6987493 0.74 MTNR1A (0.78) MTNR1AMTNR1BMAOAMAOBCYP1A2
SCHEMBL8771944 0.73 MTNR1A (0.66) MTNR1AMTNR1BMAOAMAOBCYP1A2
SCHEMBL7318693 0.71 LMNA (0.47) ALDH1A1GAASMN1; SMN2
SCHEMBL7315861 0.71 ACP3 (0.47) ALDH1A1KDM4E
SCHEMBL7311075 0.71 LMNA (0.47) ALDH1A1GAASMN1; SMN2
SCHEMBL11784699 0.71 MAOA (0.55) MTNR1AMTNR1BMAOAMAOBCYP1A2
SCHEMBL334678 0.70 ALOX5 (0.42) CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL8772029 0.70 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2NPC1RAB9A
Hydrochloric Acid SCHEMBL3610043 0.69 KIF11 (0.53) MTNR1AMTNR1BMAOAMAOBCYP1A2

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed