SCHEMBL24506922

SCHEMBL24506922

c1cc(C2CCNCC2)cc(N2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.46
▸ MAP3K12 Q12852 2/20 0.43
▸ PROKR1 Q8TCW9 3/20 0.43
▸ HRH4 Q9H3N8 3/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ PRKD1 Q15139 1/20 0.42
▸ PRKD2 Q9BZL6 1/20 0.42
▸ CASP1 P29466 1/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP5 P51878 1/20 0.41
▸ PLD1 Q13393 1/20 0.41
▸ QDPR P09417 1/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ SLC18A3 Q16572 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL24506927 0.87 LRRK2 (0.56) ADRB1LRRK2
SCHEMBL22458969 0.78 PROKR1 (0.43) ADRB1MAP3K12PROKR1HRH4LRRK2
Hydrochloric Acid SCHEMBL30476651 0.76 CHRNA7 (0.45) CASP1CASP4CASP5PLD1QDPR
Hydrochloric Acid SCHEMBL25318678 0.76 CHRNA7 (0.45) CASP1CASP4CASP5PLD1QDPR
SCHEMBL16795287 0.73 HRH4 (0.65) ADRB1HRH4PRKD3PRKD1PRKD2
SCHEMBL12975529 0.72 QDPR (0.47) MAP3K12QDPRHTR2CSLC18A3SIGMAR1
SCHEMBL5584524 0.72 TLR7 (0.56) QDPRHTR2CSLC18A3SIGMAR1
SCHEMBL31510721 0.72 QDPR (0.56) QDPRHTR2CSLC18A3SIGMAR1
SCHEMBL15535152 0.72 MKNK1 (0.55) MAP3K12HRH4QDPRHTR2CSLC18A3
SCHEMBL28306485 0.72 TLR9 (0.52) QDPRHTR2CSLC18A3SIGMAR1

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-2022125925-A1 COMPOSITIONS FOR TREATING DRY AGE-RELATED MACULAR DEGENERATION (AMD) COGNITION THERAPEUTICS, INC. (US) 2022-06-16 — — WO disclosed
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