SCHEMBL9138413

SCHEMBL9138413

CNc1nc(C)c(CCN2CC3CC(c4ccc(C(F)(F)F)cc4)C3C2)c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 7/20 0.40
▸ DRD2 P14416 6/20 0.40
▸ FFAR1 O14842 7/20 0.33
▸ KCNH2 Q12809 3/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ SLC18A2 Q05940 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ ADRA1A P35348 1/20 0.31

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
SCHEMBL8804858 0.90 CYP2D6 (0.36) DRD3DRD2KCNH2CHRM1CHRM3
SCHEMBL9139815 0.88 PTGS2 (0.34) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL8806161 0.85 GRIA2 (0.33) DRD3DRD2KCNH2
SCHEMBL8186216 0.84 SLC6A4 (0.36) KCNH2
SCHEMBL9138352 0.83 BACE1 (0.37) DRD3DRD2KCNH2CHRM1CHRM3
SCHEMBL7014109 0.82 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL8804674 0.81 CARM1 (0.34) DRD3DRD2KCNH2DRD4ADRA2A
SCHEMBL9142476 0.81 MAPT (0.47) DRD3DRD2DRD4ADRA2AADRA2B
SCHEMBL9139885 0.81 HTR1A (0.33) DRD2KCNH2
SCHEMBL8878777 0.80 MAPT (0.35) DRD3DRD2KCNH2CHRM1CHRM3

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-5475105-A N-substituted azabicycloheptane derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 — — US disclosed
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