SCHEMBL7301175

SCHEMBL7301175

[CH2]N1C(=O)CC2(CCCC2)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 11/20 0.36
ADRA1B P35368 7/20 0.36
ADRA1A P35348 4/20 0.36
DRD2 P14416 3/20 0.34
ADRA1D P25100 3/20 0.34
SLC22A2 O15244 1/20 0.33
ABCB11 O95342 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2C P18825 1/20 0.33
CNR1 P21554 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL9271889 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL7709836 0.75 SMN1; SMN2 (0.47) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL14820495 0.73 SMN1; SMN2 (0.46) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL3379242 0.73 SMN1; SMN2 (0.46) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL7835878 0.73 SMN1; SMN2 (0.42) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL14806816 0.72 SMN1; SMN2 (0.41) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL14806790 0.70 SMN1; SMN2 (0.40) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL10299522 0.70 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL11930032 0.70 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL12601433 0.70 CHRM2 (0.46) SMN1; SMN2HTR1AADRA1BADRA1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395841-A 4-benzylpiperidines for treating phychosis FERRER INTERNACIONAL, S.A. (ES) 1995-03-07 US claimed
EP-0572952-A1 4-Benzylpiperidine derivatives, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1993-12-08 EP claimed
JP-6172308-A None JP disclosed
US-5395841-A 4-benzylpiperidines for treating phychosis FERRER INTERNACIONAL, S.A. (ES) 1995-03-07 US disclosed
US-5395841-A 4-benzylpiperidines for treating phychosis FERRER INTERNACIONAL, S.A. (ES) 1995-03-07 US disclosed
JP-H06172308-A 4-BENZYLPIPERIDINE DERIVATIVE, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVE FERRER INTERNATL SA 1994-06-21 JP disclosed
EP-0572952-A1 4-Benzylpiperidine derivatives, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1993-12-08 EP disclosed