SCHEMBL11400486

SCHEMBL11400486

CC(C)N1CCCC(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.62
DRD2 P14416 4/20 0.62
CHRM2 P08172 1/20 0.60
HTR1A P08908 1/20 0.60
HTR2B P41595 1/20 0.60
HTR2C P28335 2/20 0.49
PRKDC P78527 1/20 0.44

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
Hydrochloric Acid SCHEMBL11401361 0.99 DRD3 (0.60) DRD3DRD2CHRM2HTR1AHTR2B
SCHEMBL13018937 0.86 DRD3 (0.61) DRD3DRD2CHRM2HTR1AHTR2B
SCHEMBL10057681 0.83 DRD2 (0.63) DRD3DRD2CHRM2HTR1AHTR2B
SCHEMBL11393853 0.82 DRD2 (0.59) DRD3DRD2HTR2CPRKDC
Hydrochloric Acid SCHEMBL11397089 0.81 DRD2 (0.58) DRD3DRD2HTR2CPRKDC
SCHEMBL28701675 0.81 DRD3 (0.48) DRD3DRD2CHRM2HTR1AHTR2B
SCHEMBL7323009 0.80 DRD3 (0.66) DRD3DRD2HTR1A
SCHEMBL21323287 0.78 DRD2 (0.63) DRD3DRD2
SCHEMBL2603277 0.78 DRD2 (0.63) DRD3DRD2
SCHEMBL17658922 0.78 DRD2 (0.63) DRD3DRD2

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-4259337-A ANTIDEPRESSANTS, ANOREXIGENIC AGENTS ANTIPARKINSONIAN ACTIVITY ROUSSEL UCLAF (FR) 1981-03-31 US disclosed