SCHEMBL18898516

SCHEMBL18898516

CCn1c(=O)ncc2ncc(C(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.34
▸ PDE6A P16499 1/20 0.34
▸ PDE6B P35913 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ S1PR1 P21453 1/20 0.31
▸ ACSS2 Q9NR19 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CCND2 P30279 1/20 0.30
▸ CCND3 P30281 1/20 0.30
▸ CASR P41180 1/20 0.30

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
SCHEMBL17807776 0.78 CASR (0.36) MAOBCASR
SCHEMBL23507965 0.78 BTK (0.43) MAOBBTKCDK4CCND1CCND2
SCHEMBL19200854 0.74 MAOB (0.38) MAOBPDE6APDE6BPDE1APDE1B
SCHEMBL22419359 0.72 PPARG (0.36) MAOBPDE6APDE6BPDE1APDE1B
SCHEMBL20251119 0.70 CDK4 (0.38) CDK4CCND1CCND2CCND3
SCHEMBL15340919 0.67 MAPK1 (0.32) —
SCHEMBL16663602 0.66 KDM4E (0.34) PDE1APDE1BPDE1CCDK4
SCHEMBL25092979 0.66 MAOB (0.47) MAOBPDE6APDE6BPDE1APDE1B
SCHEMBL19759412 0.62 PIK3CB (0.39) —
SCHEMBL21024080 0.62 HSD17B10 (0.59) PDE6APDE6BPDE1APDE1BPDE4D

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
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 — — US disclosed
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