SCHEMBL25877698

SCHEMBL25877698

CN1CC2CN(C(=O)c3cccc(-c4nc5ccccc5[nH]4)n3)CC2C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LANCL2 Q9NS86 1/20 0.71
HRH4 Q9H3N8 12/20 0.65
HRH3 Q9Y5N1 4/20 0.53
HTR2B P41595 1/20 0.41
PDE10A Q9Y233 1/20 0.41
NPC1 O15118 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTOR P42345 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40

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
SCHEMBL29063389 0.94 LANCL2 (0.80) LANCL2HRH4HRH3HTR2BPDE10A
SCHEMBL25311738 0.94 LANCL2 (0.80) LANCL2HRH4HRH3HTR2BPDE10A
SCHEMBL29466328 0.94 LANCL2 (0.80) LANCL2HRH4HRH3HTR2BPDE10A
SCHEMBL25314522 0.88 LANCL2 (0.70) LANCL2HRH4HRH3HTR2BPDE10A
SCHEMBL25313429 0.88 LANCL2 (0.73) LANCL2HRH4HTR2BPDE10ANPC1
SCHEMBL29466320 0.88 LANCL2 (0.73) LANCL2HRH4HTR2BPDE10ANPC1
Hydrochloric Acid SCHEMBL25311498 0.87 LANCL2 (0.71) LANCL2HRH4HTR2BPDE10ANPC1
Hydrochloric Acid SCHEMBL29466273 0.87 LANCL2 (0.71) LANCL2HRH4HTR2BPDE10ANPC1
SCHEMBL25312836 0.86 LANCL2 (0.64) LANCL2HRH4HRH3HTR2BPDE10A
SCHEMBL25879484 0.86 LANCL2 (0.64) LANCL2HRH4HRH3PDE10A

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-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed