SCHEMBL24200345

SCHEMBL24200345

OC1(Cn2c3ccccc3c3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
BACE1 P56817 2/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP19A1 P11511 1/20 0.44
FABP4 P15090 3/20 0.43
FABP5 Q01469 3/20 0.43
FABP3 P05413 1/20 0.43
DNM1 Q05193 2/20 0.42
POLB P06746 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A1 P30531 2/20 0.39
SLC6A12 P48065 2/20 0.39
SLC6A11 P48066 2/20 0.39
SLC6A13 Q9NSD5 1/20 0.39

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
SCHEMBL30145424 0.69 CYP1A2 (0.47) CYP1A2CYP2C19BACE1KDM4ECYP19A1
SCHEMBL17138519 0.69 CYP1A2 (0.47) CYP1A2CYP2C19BACE1KDM4ECYP19A1
SCHEMBL17138522 0.69 CYP1A2 (0.47) CYP1A2CYP2C19BACE1KDM4ECYP19A1
SCHEMBL17138848 0.69 CYP1A2 (0.47) CYP1A2CYP2C19BACE1KDM4ECYP19A1
SCHEMBL30145435 0.69 CYP1A2 (0.47) CYP1A2CYP2C19BACE1KDM4ECYP19A1
SCHEMBL29868746 0.69 CYP1A2 (0.64) CYP1A2CYP2C19BACE1KDM4ECYP19A1
SCHEMBL151036 0.69 CYP1A2 (0.64) CYP1A2CYP2C19BACE1KDM4ECYP19A1
SCHEMBL16447389 0.68 CYP1A2 (0.45) CYP1A2CYP2C19BACE1KDM4ECYP19A1
SCHEMBL16587300 0.68 CYP11B1 (0.53) CYP1A2CYP2C19BACE1KDM4ECYP19A1
SCHEMBL9768532 0.68 CYP1A2 (0.70) CYP1A2CYP2C19BACE1KDM4ECYP19A1

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
EP-3939971-A1 CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS Synchronicity Pharma, Inc. (US) 2022-01-19 EP disclosed