SCHEMBL11394435

SCHEMBL11394435

O=CN1CCCC(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.50
▸ DRD2 P14416 4/20 0.49
▸ PRKDC P78527 1/20 0.45
▸ DRD3 P35462 3/20 0.43
▸ DRD1 P21728 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD5 P21918 2/20 0.43
▸ BTK Q06187 1/20 0.42

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
SCHEMBL21810792 0.93 DRD2 (0.53) HTR2CDRD2DRD3DRD4
SCHEMBL28818474 0.85 DRD2 (0.59) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL28818497 0.83 PROKR1 (0.46) HTR2CDRD2DRD3DRD1DRD4
SCHEMBL23009630 0.82 SCD5 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL11393853 0.81 DRD2 (0.59) HTR2CDRD2PRKDCDRD3BTK
Hydrochloric Acid SCHEMBL11397089 0.80 DRD2 (0.58) HTR2CDRD2PRKDCDRD3
SCHEMBL14323106 0.79 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL15650332 0.79 DRD2 (0.53) HTR2CDRD2DRD3DRD1DRD4
SCHEMBL11403534 0.78 CNR2 (0.60) DRD2DRD3DRD1DRD4DRD5
SCHEMBL16457233 0.77 HTR2C (0.72) HTR2CDRD2

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
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