SCHEMBL30635458

SCHEMBL30635458

c1nc(N2CCCCC2)ncc1CN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.54
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ FLT3 P36888 1/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL31010217 0.95 HRH3 (0.57) HRH3TSHRALDH1A1MAPK1HPGD
SCHEMBL30635452 0.90 HRH3 (0.52) HRH3ALDH1A1
SCHEMBL24571880 0.83 HRH3 (0.68) HRH3TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL30635456 0.82 HRH3 (0.47) HRH3POLB
SCHEMBL25177979 0.79 TAAR1 (0.55) HRH3ALDH1A1SMN1; SMN2
SCHEMBL15260468 0.77 HRH3 (0.56) HRH3TSHRALDH1A1SMN1; SMN2
SCHEMBL14606256 0.77 HRH3 (0.52) HRH3ALDH1A1SMN1; SMN2
SCHEMBL30635490 0.75 TAAR1 (0.40) TSHRPOLBAOC3SMN1; SMN2
SCHEMBL21565579 0.74 HRH3 (0.55) HRH3SMN1; SMN2
SCHEMBL26157316 0.74 KMT2A (0.45) HRH3TSHRPOLBSMN1; SMN2

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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