SCHEMBL9055201

SCHEMBL9055201

CCCCCCNc1ccc2cccc(N3CCN(C)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.52
HTR1D P28221 4/20 0.52
HTR1B P28222 4/20 0.52
HRH4 Q9H3N8 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AVPR2 P30518 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL6308933 0.80 SMN1; SMN2 (0.57) HTR1AHTR1DHTR1BKDM4EALDH1A1
SCHEMBL6308472 0.79 HTR1A (0.54) HTR1AHTR1DHTR1BHRH4
SCHEMBL9058908 0.78 HTR1A (0.81) HTR1AHTR1DHTR1B
SCHEMBL6307023 0.78 ACHE (0.55) HTR1AHTR1DHTR1BHRH4ALDH1A1
SCHEMBL4790558 0.74 CNR1 (0.50) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL6305476 0.73 HTR1A (0.54) HTR1AHTR1DHTR1BKDM4EMAPT
SCHEMBL6001695 0.73 HTR1A (0.63) HTR1AHTR1DHTR1B
SCHEMBL6393026 0.72 HTR1A (0.52) HTR1AHTR1DHTR1BKDM4EALDH1A1
SCHEMBL6306841 0.72 HTR1A (0.50) HTR1AHTR1DHTR1BKDM4E
SCHEMBL6313298 0.71 HTR1A (0.63) HTR1AHTR1DHTR1BHRH4CYP1A2

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