SCHEMBL5111970

SCHEMBL5111970

NC(=O)C1CCC(N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.59
▸ ADRA1D P25100 9/20 0.59
▸ ADRA1A P35348 9/20 0.59
▸ ADRA1B P35368 9/20 0.59
▸ CHRM4 P08173 3/20 0.46
▸ CHRM1 P11229 3/20 0.46
▸ CHRM2 P08172 1/20 0.42
▸ SSTR1 P30872 2/20 0.42
▸ SSTR4 P31391 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ CCR2 P41597 2/20 0.39

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
SCHEMBL5097593 0.85 DRD2 (0.56) DRD2ADRA1DADRA1AADRA1BCHRM4
SCHEMBL5110343 0.79 DRD2 (0.58) DRD2ADRA1DADRA1AADRA1BCHRM4
SCHEMBL5285246 0.76 DRD2 (0.59) DRD2ADRA1DADRA1AADRA1BCHRM4
SCHEMBL5101829 0.75 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5112041 0.75 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5101822 0.75 ADRA1A (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5104743 0.73 SSTR1 (0.48) DRD2ADRA1DADRA1AADRA1BSSTR1
SCHEMBL6960626 0.73 PTGDR2 (0.61) SSTR1SSTR4PTGDR2
SCHEMBL5102081 0.72 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5110473 0.72 DRD2 (1.00) DRD2ADRA1DADRA1AADRA1B

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-7470711-B2 Piperidinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 — — US disclosed
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