SCHEMBL4772432

SCHEMBL4772432

O=C1NCCN1CCCCc1c(Cl)ccc2c1CCCCN2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
NOTUM Q6P988 1/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL3966494 0.78 HTR2A (0.43) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL14115776 0.69 HTR2C (0.46) ALDH1A1POLBKMT2AMAPTCYP2C9
SCHEMBL7261352 0.67 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL11173610 0.66 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL2118226 0.66 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL31169794 0.65 NOTUM (0.75) ALDH1A1KMT2AMEN1NOTUMMAPT
SCHEMBL11743398 0.65 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL22662832 0.65 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL13843636 0.64 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL13946707 0.64 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBKMT2AMEN1

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-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 EP disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed