SCHEMBL27388495

SCHEMBL27388495

C[C@H]1CCCCC1C1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.36
▸ SLC6A1 P30531 2/20 0.32
▸ SLC6A11 P48066 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC6A13 Q9NSD5 1/20 0.32
▸ APLNR P35414 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ EPAS1 Q99814 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 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
SCHEMBL24365327 0.85 HTR2C (0.37) HTR2C
SCHEMBL19963422 0.83 HTR2C (0.33) HTR2CSLC6A1SLC6A11TSHRLMNA
SCHEMBL8948163 0.80 CCR5 (0.36) HTR2C
SCHEMBL25014005 0.80 CCR5 (0.36) HTR2C
SCHEMBL24773886 0.78 CCR5 (0.35) CA1CA2CA4
SCHEMBL6240345 0.77 CA1 (0.48) NOS2EPAS1CA1CA2CA4
SCHEMBL24588800 0.76 CCR5 (0.36) HTR2CTSHR
SCHEMBL17121782 0.76 CCR5 (0.36) HTR2CTSHR
SCHEMBL16573209 0.76 KCNH2 (0.31) —
SCHEMBL18781491 0.76 CCR5 (0.36) HTR2CTSHR

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-2024126322-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-06-20 — — WO disclosed
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