SCHEMBL30635490

SCHEMBL30635490

c1ccn(Cc2cnc(N3CCCCC3)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.40
▸ AOC3 Q16853 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP5 P51878 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ACACB O00763 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
SCHEMBL30635518 0.81 GAA (0.50) TAAR1TSHRKDM4ENPC1RAB9A
SCHEMBL30635452 0.80 HRH3 (0.52) BCL2L1KDM4EKMT2AMEN1CASP1
SCHEMBL30635458 0.75 HRH3 (0.54) AOC3POLBSMN1; SMN2TSHR
SCHEMBL19674286 0.74 ALDH1A1 (0.40) TAAR1AOC3POLBSMN1; SMN2TSHR
SCHEMBL12183157 0.74 CYP1A2 (0.46) TAAR1AOC3POLBSMN1; SMN2TSHR
SCHEMBL23094516 0.74 OGA (0.45) TAAR1AOC3POLBSMN1; SMN2TSHR
SCHEMBL30635456 0.73 HRH3 (0.47) POLBBCL2L1KDM4EKMT2AMEN1
SCHEMBL16662280 0.72 TAAR1 (0.71) TAAR1POLBBCL2L1KMT2AMEN1
SCHEMBL12503186 0.72 OGA (0.47) TAAR1POLBSMN1; SMN2KDM4ENPC1
SCHEMBL16815486 0.72 OGA (0.46) TAAR1AOC3POLBSMN1; SMN2KDM4E

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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