SCHEMBL7408335

SCHEMBL7408335

OC(CCN1CCC(c2cccc(C(F)(F)F)c2)CC1)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.60
CCR5 P51681 3/20 0.49
DRD4 P21917 1/20 0.48
GRM2 Q14416 1/20 0.48
CCR2 P41597 8/20 0.48
CHRM4 P08173 1/20 0.46
GRIN2B Q13224 1/20 0.45
TACR1 P25103 1/20 0.45
HTR2C P28335 1/20 0.43

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
SCHEMBL7404986 0.82 DRD2 (0.61) DRD2CCR5DRD4GRM2CCR2
SCHEMBL9311044 0.81 DRD2 (0.66) DRD2DRD4GRM2
SCHEMBL4823773 0.75 DRD2 (1.00) DRD2DRD4GRM2HTR2C
SCHEMBL7401247 0.75 HRH3 (0.58) DRD2
SCHEMBL9667283 0.74 CHRM4 (0.69) DRD2DRD4GRM2CHRM4HTR2C
Bromide SCHEMBL5888839 0.74 HRH3 (0.57) DRD2
SCHEMBL10475673 0.73 DRD2 (0.65) DRD2CCR5DRD4GRM2CHRM4
SCHEMBL4824740 0.73 DRD2 (0.85) DRD2DRD4GRM2HTR2C
SCHEMBL6351172 0.73 CHRM4 (0.61) DRD2DRD4GRM2CCR2CHRM4
SCHEMBL9422688 0.73 DRD2 (0.63) DRD2DRD4GRM2CHRM4HTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed