SCHEMBL9054002

SCHEMBL9054002

CCCN1CCN(c2cccc3ccc(Nc4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.51
DRD3 P35462 3/20 0.51
HTR1A P08908 2/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A9 P48067 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR2A P28223 2/20 0.42
DRD4 P21917 1/20 0.42
HTR2C P28335 1/20 0.42
CACNA1G O43497 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9053380 0.92 CYP2D6 (0.43) HTR1AHTR1DHTR1BTP53MAPT
SCHEMBL6305703 0.84 CHRM1 (0.53) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL6308342 0.76 CHRM1 (0.62) TP53MAPT
SCHEMBL6308077 0.75 HTR1A (0.53) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL6308232 0.72 RAB9A (0.55) HTR1AHTR1DHTR1BTP53MAPT
SCHEMBL9055201 0.70 HTR1A (0.52) HTR1AHTR1DHTR1BMAPTKDM4E
SCHEMBL9052843 0.70 HTR1A (0.49) DRD2HTR1AHTR1DHTR1BTP53
SCHEMBL8077724 0.70 L3MBTL1 (0.39) HTR1AHTR1DHTR1BMAPTKDM4E
SCHEMBL8467046 0.69 KCNH2 (0.74) DRD2HTR1AKCNH2
SCHEMBL30764776 0.69 KCNH2 (0.74) DRD2HTR1AKCNH2

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-0689536-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-03 EP disclosed