SCHEMBL24377908

SCHEMBL24377908

CN1CC=C(c2n[nH]c3cc(Cl)ncc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.42
HTR6 P50406 2/20 0.41
HTR2A P28223 1/20 0.39
NTRK1 P04629 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTR1A P08908 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL24377932 0.78 SLC6A4 (0.62) SLC6A4HTR6KDM4ELMNAPOLB
SCHEMBL29546618 0.78 SLC6A4 (0.62) SLC6A4HTR6KDM4ELMNAPOLB
SCHEMBL10535366 0.75 KDM4E (0.57) SLC6A4HTR6HTR2AKDM4ELMNA
SCHEMBL25243471 0.73 CHEK1 (0.43) SLC6A4HTR6KDM4ELMNAPOLB
SCHEMBL29562759 0.72 AXL (0.64)
SCHEMBL31543504 0.69 MAPK1 (0.48)
SCHEMBL21037217 0.68 QDPR (0.42) SLC6A4HTR6
SCHEMBL21037746 0.67 CHRNB2 (0.60)
SCHEMBL16580770 0.65 ADORA2A (0.44) HSD17B10
SCHEMBL29562995 0.65 ADORA2A (0.44) HSD17B10

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-2022083560-A1 TYK2 SELECTIVE INHIBITOR AND USE THEREOF 南京药石科技股份有限公司 2022-04-28 WO disclosed