SCHEMBL30635456

SCHEMBL30635456

CN1CCN(Cc2cnc(N3CCCCC3)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.47
▸ MC4R P32245 1/20 0.46
▸ CHKA P35790 3/20 0.45
▸ SYK P43405 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CA2 P00918 1/20 0.43
▸ NCF1 P14598 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CASP1 P29466 1/20 0.41
▸ CASP5 P51878 1/20 0.41

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
SCHEMBL30635452 0.88 HRH3 (0.52) HRH3KDM4EBCL2L1MEN1KMT2A
SCHEMBL30635458 0.82 HRH3 (0.54) HRH3POLB
SCHEMBL30635451 0.80 SIGMAR1 (0.36) HRH3BCL2L1MEN1KMT2ACASP1
SCHEMBL30635521 0.78 HRH3 (0.42) HRH3MC4RCHKASYKLMNA
SCHEMBL14566661 0.78 MC4R (0.53) HRH3MC4RCHKALMNACA2
SCHEMBL25177979 0.77 TAAR1 (0.55) HRH3KDM4EMEN1KMT2ACASP1
SCHEMBL31010217 0.77 HRH3 (0.57) HRH3POLBKDM4E
SCHEMBL21565496 0.77 CHKA (0.59) HRH3MC4RCHKANCF1
SCHEMBL30635453 0.77 ALDH1A1 (0.41) HRH3
SCHEMBL19490801 0.76 MC4R (0.56) HRH3MC4RCHKALMNACA2

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-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 — — WO disclosed
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