SCHEMBL20756431

SCHEMBL20756431

Cc1cc(N2CCC(C(C)CCc3ccc(N4CCCC(C(C)C)C4)cn3)CC2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 9/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.35
▸ LDHA P00338 1/20 0.35
▸ ACACB O00763 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ WNT3A P56704 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ TRPA1 O75762 1/20 0.32

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
SCHEMBL20757090 0.82 HRH4 (0.47) HRH4ACACBMAPK1
SCHEMBL25065331 0.76 HRH3 (0.40) HRH3
SCHEMBL20756622 0.75 CHRNB2 (0.39) HRH4
SCHEMBL20756582 0.75 LDHA (0.42) HRH4LDHAACACB
SCHEMBL24844050 0.72 DPP4 (0.41) HRH3
SCHEMBL24746028 0.71 CHRNB2 (0.41) HRH3
SCHEMBL23108878 0.70 HRH3 (0.40) HRH3MAPK1
SCHEMBL23108681 0.70 HRH3 (0.40) HRH3MAPK1
SCHEMBL23132890 0.70 HRH3 (0.40) HRH3MAPK1
SCHEMBL23132893 0.70 HRH3 (0.40) HRH3MAPK1

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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