SCHEMBL8759945

SCHEMBL8759945

CCN1CCN(c2cc(NC(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2OC)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 15/20 0.68
▸ HTR1D P28221 15/20 0.68
▸ HTR1B P28222 15/20 0.68
▸ MAPT P10636 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ HTR2C P28335 5/20 0.63
▸ HTR6 P50406 5/20 0.63
▸ HTR2A P28223 4/20 0.63
▸ HTR7 P34969 2/20 0.63
▸ STS P08842 2/20 0.59
▸ RAB9A P51151 1/20 0.58
▸ GAA P10253 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55

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
Fumaric Acid SCHEMBL8691252 0.95 HTR1A (0.71) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL8691191 0.93 HTR1A (0.68) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL8691219 0.89 HTR1A (0.85) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL8696773 0.87 HTR1A (0.69) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL8693877 0.86 HTR1A (0.67) HTR1AHTR1DHTR1BMAPTALDH1A1
Fumaric Acid SCHEMBL8692233 0.84 HTR1A (0.86) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL8760766 0.81 HTR1A (1.00) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6720400 0.81 MAPT (0.58) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6724448 0.78 MAPT (0.58) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL8759779 0.77 HTR1A (1.00) HTR1AHTR1DHTR1BMAPTHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 — — EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 — — WO disclosed
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