SCHEMBL9054199

SCHEMBL9054199

CN1CCN(c2cccc3ccc(N)cc23)CC1.CN1CCN(c2cccc3ccc(NC(=O)OCc4ccccc4)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
KDM1B Q8NB78 2/20 0.49
RCOR1 Q9UKL0 2/20 0.49
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
HTR1A P08908 7/20 0.46
HTR1D P28221 7/20 0.46
HTR1B P28222 7/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL6306751 0.94 KDM1A (0.51) KDM1AMAOAKDM1BRCOR1ALDH1A1
SCHEMBL6309047 0.85 KDM1A (0.47) KDM1AMAOAKDM1BRCOR1ALDH1A1
SCHEMBL7809208 0.78 HTR1A (0.53) ALDH1A1TSHRGAAHTR1AHTR1D
SCHEMBL6313054 0.77 MAPT (0.61) HTR1AHTR1DHTR1BNPC1TP53
SCHEMBL6309053 0.76 HTR1A (0.46) KDM1AMAOAKDM1BRCOR1ALDH1A1
SCHEMBL3949525 0.76 HTR1A (0.62) ALDH1A1GAAHTR1AHTR1DHTR1B
SCHEMBL6308769 0.76 NPC1 (0.60) ALDH1A1TSHRGAAHTR1AHTR1D
SCHEMBL6305476 0.76 HTR1A (0.54) HTR1AHTR1DHTR1BNPC1TP53
SCHEMBL3583048 0.74 MGLL (0.72) ALDH1A1TSHRNPC1TP53MAPT
SCHEMBL6308472 0.74 HTR1A (0.54) HTR1AHTR1DHTR1BKDRHTR2A

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