SCHEMBL20836286

SCHEMBL20836286

Cc1ccc(N2CCc3c(nc[nH]c3=O)C2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
C5AR1 P21730 1/20 0.44
PARP1 P09874 3/20 0.39
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KA3 P51812 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
POLB P06746 2/20 0.37
HCAR1 Q9BXC0 1/20 0.36
HTR1A P08908 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IP6K1 Q92551 1/20 0.34

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
SCHEMBL10407236 0.72 ALDH1A1 (0.49) HTTC5AR1ALDH1A1MEN1KMT2A
SCHEMBL20836411 0.71 C5AR1 (0.41) HTTC5AR1ALDH1A1MEN1KMT2A
SCHEMBL8499455 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL997586 0.69 P2RX3 (0.50)
SCHEMBL20836477 0.68 GRM7 (0.46) HTTPARP1CHEK1PIM1RPS6KA3
SCHEMBL31483708 0.68 GRM7 (0.46) HTTPARP1CHEK1PIM1RPS6KA3
SCHEMBL4864780 0.68 TRPV1 (0.40)
SCHEMBL5430634 0.68 ADRB1 (0.50) PARP1ALDH1A1MAPT
SCHEMBL22512460 0.68 ALDH1A1 (0.41) HTTPARP1ALDH1A1MEN1KMT2A
SCHEMBL5431075 0.67 SCN9A (0.44) HTTPARP1ALDH1A1MEN1KMT2A

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-3459939-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 Pragma Therapeutics (FR) 2019-03-27 EP disclosed