SCHEMBL7145335

SCHEMBL7145335

Cc1nc2n(c(=O)c1CCN1CCC(n3ccc4ccccc43)CC1)CCS2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2A P28223 9/20 0.44
HTR7 P34969 1/20 0.44
HTR1A P08908 9/20 0.40
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCD O00767 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTR2C P28335 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 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
SCHEMBL7147314 0.80 CYP2D6 (0.54) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL7150338 0.79 DRD2 (0.51) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL7149529 0.79 DRD2 (0.53) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL12786171 0.74 DRD2 (0.53) DRD2HTR2AHTR1AHTR2CSMN1; SMN2
SCHEMBL7294274 0.74 DRD2 (0.57) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL10924509 0.74 ADRA1D (0.48) DRD2SLC6A4HTR2AHTR1A
SCHEMBL19154546 0.74 SMN1; SMN2 (0.54) DRD2HTR2AHTR7HTR1ACYP2C19
Hydrochloric Acid SCHEMBL10598945 0.72 CYP2C9 (0.56) DRD2SLC6A4HTR2AHTR7HTR1A
SCHEMBL21104613 0.72 HTR2C (0.52) DRD2HTR2AHTR7HTR1ACYP2C19
Setoperone SCHEMBL122185 0.72 HTR2C (0.64) DRD2SLC6A4HTR2AHTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808313-B1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP claimed
EP-0808313-A1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-26 EP claimed
WO-1996023784-A1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-08 WO claimed
EP-0808313-B1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed
EP-0808313-A1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-26 EP disclosed
WO-1996023784-A1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-08 WO disclosed