SCHEMBL7294320

SCHEMBL7294320

Cn1cc(C(=O)OCC2CCNCC2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.62
NPSR1 Q6W5P4 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
ALOX15 P16050 2/20 0.62
NFKB1 P19838 1/20 0.62
PMP22 Q01453 1/20 0.62
SLC6A4 P31645 1/20 0.55
NR4A2 P43354 1/20 0.54
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
RASGRP1 O95267 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCE Q02156 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL7300604 0.87 HTR4 (0.69) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7300751 0.83 HTR4 (0.73) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL22414037 0.82 SLC6A4 (0.63) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL9341467 0.81 HTR4 (0.71) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7300517 0.81 HTR4 (0.71) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7301147 0.80 HTR4 (0.69) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL9344429 0.80 HTR4 (0.67) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL9572993 0.80 SLC6A4 (0.59) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL7293786 0.79 HTR4 (0.68) HTR4NPSR1CYP1A2CYP2C9ALOX15
SCHEMBL18413857 0.79 SLC6A4 (0.56) HTR4NPSR1CYP1A2CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501322-B1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LTD (GB) 1996-09-04 EP disclosed
CN-1083059-A The indoles that 3-piperidine methyl carboxylicesters replaces GLAXO GROUP LTD (GB) 1994-03-02 CN disclosed
WO-1992014727-A1 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES GLAXO GROUP LIMITED (GB) 1992-09-03 WO disclosed
EP-0501322-A1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LIMITED (GB) 1992-09-02 EP disclosed