SCHEMBL20756422

SCHEMBL20756422

CSC1CCCN(c2ccnc(C)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.45
▸ MAPK1 P28482 1/20 0.38
▸ PROKR1 Q8TCW9 2/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LDHA P00338 1/20 0.35
▸ CHRM4 P08173 1/20 0.35

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
SCHEMBL23515046 0.81 HRH4 (0.45) HRH4MAPK1PROKR1KDM4E
SCHEMBL23515312 0.80 HRH4 (0.53) HRH4
SCHEMBL20757090 0.78 HRH4 (0.47) HRH4MAPK1PROKR1TMEM97
SCHEMBL425041 0.77 HRH4 (0.56) HRH4MAPK1KDM4EALDH1A1HSD17B10
SCHEMBL23636750 0.76 ADRB1 (0.41) HRH4KDM4EALDH1A1
Water SCHEMBL28114608 0.75 HRH4 (0.54) HRH4MAPK1KDM4EALDH1A1HSD17B10
SCHEMBL9455784 0.75 HRH4 (0.58) HRH4MAPK1KDM4EALDH1A1TSHR
SCHEMBL26788467 0.75 HRH4 (0.44) HRH4TMEM97LDHACHRM4
SCHEMBL21186191 0.73 HRH4 (0.50) HRH4KDM4ELDHA
SCHEMBL21342320 0.72 PRKDC (0.52) PROKR1ALDH1A1

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-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 — — WO disclosed
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