SCHEMBL9051666

SCHEMBL9051666

Cc1cc(C)c(N2CCN(C(=O)O)CC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 6/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL27892746 0.87 ALDH1A1 (0.60) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL20106885 0.82 ALDH1A1 (0.60) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL5396452 0.79 LMNA (0.63) ALDH1A1MAPTLMNAATMHTR1A
SCHEMBL9052600 0.77 HTT (0.71) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL28667202 0.77 GPR119 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL28670604 0.76 ALDH1A1 (0.45) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL20180504 0.74 NPSR1 (0.53) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL630705 0.74 KMT2A (0.70) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL283988 0.73 ALDH1A1 (0.52) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL15316122 0.73 ALDH1A1 (0.61) ALDH1A1MAPTHTTSMN1; SMN2POLB

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
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO claimed
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO disclosed