SCHEMBL30199500

SCHEMBL30199500

C1=CC(CN2CCc3ccc(OCc4ccccn4)cc3C2)[C@@H](CC2CCO2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 4/20 0.44
▸ F10 P00742 2/20 0.41
▸ HRH3 Q9Y5N1 9/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ HRH1 P35367 2/20 0.41
▸ PRMT5 O14744 2/20 0.38
▸ WDR77 Q9BQA1 2/20 0.38
▸ PRKDC P78527 2/20 0.35
▸ P2RY12 Q9H244 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
SCHEMBL30199647 0.88 HRH3 (0.55) GPR84HRH3CYP2D6HRH1PRMT5
SCHEMBL30199465 0.86 HRH3 (0.44) GPR84F10HRH3CYP2D6HRH1
SCHEMBL30199401 0.85 F10 (0.40) GPR84F10HRH3CYP2D6HRH1
SCHEMBL30198777 0.85 HRH3 (0.46) GPR84HRH3CYP2D6HRH1PRMT5
SCHEMBL30199411 0.85 HRH3 (0.46) GPR84HRH3CYP2D6HRH1PRMT5
SCHEMBL30200138 0.84 HRH3 (0.41) GPR84HRH3CYP2D6HRH1PRMT5
SCHEMBL30199267 0.84 GPR84 (0.43) GPR84HRH3CYP2D6HRH1PRKDC
SCHEMBL30199360 0.82 HRH3 (0.44) GPR84HRH3CYP2D6HRH1
SCHEMBL30199615 0.82 HRH3 (0.44) HRH3CYP2D6HRH1
SCHEMBL30199309 0.82 HRH3 (0.44) GPR84HRH3CYP2D6HRH1

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
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 — — CN disclosed
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