SCHEMBL6633979

SCHEMBL6633979

CC(Oc1ccc(-c2ccccc2)cc1)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
KCNH2 Q12809 2/20 0.42
PRMT5 O14744 1/20 0.41
HTR7 P34969 4/20 0.41
HTR1A P08908 3/20 0.41
HTR6 P50406 3/20 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
SCHEMBL7451551 0.90 MEN1 (0.50) MAOAMAOBMEN1KMT2ACHRM2
SCHEMBL6632600 0.85 ALOX15 (0.50) ALOX15HSD17B10MAOAMAOBCYP1A2
SCHEMBL16428483 0.81 CYP2D6 (0.53) KMT2ALTA4HOPRD1CYP2D6
SCHEMBL30108220 0.76 CHRM2 (0.66) MEN1KMT2ACHRM2CHRM1SLC6A2
SCHEMBL3160983 0.74 CHRNB4 (0.49) ALOX15HSD17B10MAOAMAOBCYP1A2
SCHEMBL14966522 0.73 CHRNB4 (0.47) CYP1A2GAACYP2C9CYP2C19MEN1
SCHEMBL4322787 0.73 CHRNB4 (0.47) CYP1A2GAACYP2C9CYP2C19MEN1
SCHEMBL5387820 0.71 CHRNB4 (0.42) ALOX15HSD17B10MAOAMAOBCYP1A2
SCHEMBL5388787 0.71 CHRNB4 (0.46) ALOX15HSD17B10MEN1KMT2ASLC6A2
SCHEMBL6255523 0.71 MEN1 (0.56) MEN1KMT2ACHRM2CHRM1SLC6A2

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-1463731-A1 DIBENZODIAZEPINE DERIVATES, THEIR PREPARATION AND USE Abbott GmbH & Co. KG (DE) 2004-10-06 EP disclosed
WO-2003057699-A1 DIBENZODIAZEPINE DERIVATES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2003-07-17 WO disclosed