SCHEMBL7150378

SCHEMBL7150378

Cc1nn2c(C)c(CCN3CCC(n4ccc5cc(F)ccc54)CC3)c(=O)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.47
HTR7 P34969 6/20 0.47
KCNH2 Q12809 4/20 0.47
DRD2 P14416 2/20 0.37
SLC6A4 P31645 1/20 0.37
SCD O00767 2/20 0.36
GRIA2 P42262 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
CNR2 P34972 4/20 0.34
HTR1A P08908 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL7150372 0.88 HTR2A (0.47) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL10920498 0.78 HTR2C (0.54) HTR2AHTR7HTR1AKDM4EMEN1
SCHEMBL7142123 0.75 HTR2A (0.59) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL7145886 0.73 HTR2A (0.47) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL7140214 0.72 HTR2A (0.61) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL6589098 0.68 HTR1A (0.54) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL24279609 0.68 HTR2A (0.57) HTR2AHTR7KCNH2DRD2SLC6A4
SCHEMBL23459131 0.66 PLD2 (0.62) HTR2AHTR7KCNH2DRD2HTR1A
SCHEMBL10920489 0.66 HTR2C (0.64) HTR2AHTR7DRD2SLC6A4HTR1A
SCHEMBL28839286 0.65 HTR2A (0.48) HTR2AHTR7KCNH2DRD2SLC6A4

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
EP-0808313-B1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed