SCHEMBL7996202

SCHEMBL7996202

O=C1CNCCN1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
GRM2 Q14416 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
DAO P14920 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41

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
SCHEMBL92331 0.90 L3MBTL1 (0.56) L3MBTL1SIGMAR1DDB1CRBNPOLB
Bromide SCHEMBL28426487 0.89 L3MBTL1 (0.54) L3MBTL1SIGMAR1DDB1CRBNPOLB
Hydrochloric Acid SCHEMBL4768580 0.89 L3MBTL1 (0.54) L3MBTL1SIGMAR1DDB1CRBNPOLB
SCHEMBL10765650 0.83 L3MBTL1 (0.59) L3MBTL1HRH3SIGMAR1DDB1CRBN
SCHEMBL4692001 0.82 MEN1 (0.47) L3MBTL1SIGMAR1POLBCYP2C9CYP2C19
SCHEMBL25271016 0.81 ALDH1A1 (0.42) L3MBTL1GRM2HRH3POLBHDAC1
SCHEMBL14863940 0.81 HTR2C (0.43) L3MBTL1HRH3SIGMAR1DDB1CRBN
SCHEMBL20129619 0.81 ALDH1A1 (0.42) L3MBTL1HRH3SIGMAR1POLBKMT2A
SCHEMBL24648953 0.81 MGLL (0.43) L3MBTL1HRH3MGLLPOLBKMT2A
SCHEMBL2899901 0.81 ALDH1A1 (0.63) L3MBTL1GRM2POLBCYP2C9KMT2A

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
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed