SCHEMBL8670992

SCHEMBL8670992

CC(=O)N1CCNCC1c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.43
HTR2B P41595 8/20 0.43
HTR2A P28223 7/20 0.43
MAPK1 P28482 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
NCF1 P14598 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR7 P34969 1/20 0.39
MTOR P42345 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL28019268 0.86 HTR2C (0.44) HTR2CHTR2BHTR2AMAPK1MTNR1A
SCHEMBL2404066 0.78 HTR2C (0.54) HTR2CHTR2BHTR2A
SCHEMBL1580100 0.77 POLB (0.54) MAPK1TAAR1TSHR
Hydrochloric Acid SCHEMBL2847260 0.74 TACR1 (0.47) HTR2CHTR2BHTR2A
SCHEMBL29564745 0.73 MTNR1A (0.44) MAPK1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL8670994 0.73 TDP1 (0.42) HTR2CHTR2BHTR2AMTNR1ATAAR1
SCHEMBL18284815 0.71 TAAR1 (0.44) HTR2CHTR2BHTR2ATAAR1
SCHEMBL2697639 0.71 HTR2A (0.39) HTR2CHTR2BHTR2AMTNR1ATAAR1
SCHEMBL3338258 0.71 LMNA (0.44) HTR2CHTR2BHTR2A
SCHEMBL15824978 0.70 TAAR1 (0.43) HTR2CHTR2BHTR2ATAAR1

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-0880512-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1998-12-02 EP disclosed
WO-1997028141-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed