SCHEMBL7145886

SCHEMBL7145886

CNc1nc(C)c(CCN2CCC(n3ccc4cc(F)ccc43)CC2)c(=O)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.47
HTR7 P34969 5/20 0.47
KCNH2 Q12809 5/20 0.47
HTR2C P28335 4/20 0.41
HTR1A P08908 3/20 0.41
CYP2D6 P10635 3/20 0.41
TSHR P16473 3/20 0.41
PMP22 Q01453 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
THPO P40225 1/20 0.41
DRD2 P14416 10/20 0.39
SLC6A4 P31645 3/20 0.39
ADRA2A P08913 3/20 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
SCHEMBL7142123 0.81 HTR2A (0.59) HTR2AHTR7KCNH2HTR2CHTR1A
SCHEMBL7140214 0.81 HTR2A (0.61) HTR2AHTR7KCNH2HTR2CHTR1A
SCHEMBL7150372 0.80 HTR2A (0.47) HTR2AHTR7KCNH2HTR2CHTR1A
SCHEMBL7150378 0.73 HTR2A (0.47) HTR2AHTR7KCNH2HTR2CHTR1A
SCHEMBL8067832 0.72 MAPT (0.38) HTR2AHTR7KCNH2HTR2CHTR1A
SCHEMBL9382537 0.72 MAPT (0.64) HTR2AHTR7HTR2CHTR1ACYP2D6
SCHEMBL24279609 0.71 HTR2A (0.57) HTR2AHTR7KCNH2HTR1ADRD2
SCHEMBL6589098 0.70 HTR1A (0.54) HTR2AHTR7KCNH2HTR1ADRD2
SCHEMBL7149529 0.70 DRD2 (0.53) HTR2AHTR7HTR2CHTR1ACYP2D6
SCHEMBL7145335 0.69 DRD2 (0.52) HTR2AHTR7HTR2CHTR1ACYP2D6

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 4 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-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