SCHEMBL23028601

SCHEMBL23028601

Cc1cccc(NCC2CCN(C)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.47
CDK9 P50750 3/20 0.47
USP30 Q70CQ3 2/20 0.45
PIM1 P11309 3/20 0.45
USP1 O94782 1/20 0.44
WDR48 Q8TAF3 1/20 0.44
KCNH2 Q12809 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CRHR1 P34998 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
NPC1 O15118 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
SCHEMBL17700718 0.88 CRHR1 (0.51) USP30CRHR1NPSR1HSD17B10NPC1
SCHEMBL29508428 0.81 EGLN2 (0.47) CCNT1CDK9USP30PIM1KCNH2
SCHEMBL23013075 0.81 EGLN2 (0.47) CCNT1CDK9USP30PIM1KCNH2
SCHEMBL23013101 0.80 KDM4E (0.47) CCNT1CDK9USP30PIM1KCNH2
SCHEMBL29508430 0.80 KDM4E (0.47) CCNT1CDK9USP30PIM1KCNH2
SCHEMBL13118523 0.79 GRIN2B (0.57) CCNT1CDK9USP30USP1WDR48
SCHEMBL26268478 0.77 OPRM1 (0.51) CCNT1PIM1HTR3EHTR3BHTR3A
SCHEMBL1441523 0.76 NPSR1 (0.43) CCNT1CRHR1NPSR1HSD17B10NPC1
SCHEMBL1441524 0.76 NPSR1 (0.43) CCNT1CRHR1NPSR1HSD17B10NPC1
SCHEMBL24151174 0.74 P2RX7 (0.51)

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
WO-2021032934-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed