SCHEMBL28201612

SCHEMBL28201612

COC1=Nc2ncccc2CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19142282 0.76 CYP11B1 (0.36) NPC1RAB9ACYP19A1CYP11B1CYP11B2
SCHEMBL28201589 0.75 CHRM2 (0.30) CHRM2HTR1ACHRM1DRD2HTR2A
SCHEMBL28857380 0.73 HRH1 (0.34) CHRM2HTR1ACHRM1DRD2HTR2A
SCHEMBL4340785 0.73 TSHR (0.32) CHRM2HTR1ACHRM1DRD2HTR2A
SCHEMBL28202178 0.72 HDAC8 (0.32) CHRM2HTR1ACHRM1DRD2HTR2A
SCHEMBL28195678 0.72 HDAC1 (0.32) NPC1RAB9ACHRM2HTR1ACHRM1
SCHEMBL7631306 0.72 NOS3 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28276888 0.72 CYP11B2 (0.33) CYP11B2CHRM2HTR1ACHRM1DRD2
SCHEMBL28201579 0.68 HRH1 (0.35) ALDH1A1CHRM2HTR1ACHRM1DRD2
SCHEMBL28201586 0.68 CYP2A6 (0.36) NPC1RAB9AALDH1A1CHRM2HTR1A

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
CN-105683188-B The ring pyridinyl derivatives of condensed ring two as FGFR4 inhibitor 诺华股份有限公司 2018-02-09 CN disclosed