SCHEMBL27635341

SCHEMBL27635341

O=CC1(O)CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.44
KDM1A O60341 3/20 0.44
HDAC9 Q9UKV0 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
AKR1C1 Q04828 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
SCHEMBL10858748 0.82 SIGMAR1 (0.46) AKR1B1KDM1AMEN1KMT2ASIGMAR1
SCHEMBL12083418 0.78 CYP2A6 (0.44) SIGMAR1
SCHEMBL367096 0.75 AKR1C1 (0.47) AKR1B1KDM1AHDAC9MEN1KMT2A
SCHEMBL6495897 0.75 KDM1A (0.51) AKR1B1KDM1AMEN1KMT2ASIGMAR1
SCHEMBL4862191 0.75 MEN1 (0.53) AKR1B1KDM1AMEN1KMT2ASIGMAR1
SCHEMBL4195493 0.75 KDM1A (0.50) AKR1B1KDM1AHDAC9MEN1KMT2A
SCHEMBL31629514 0.75 KDM1A (0.50) AKR1B1KDM1AHDAC9MEN1KMT2A
SCHEMBL21479899 0.75 MEN1 (0.42) AKR1B1KDM1AMEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL4427642 0.74 KDM1A (0.50) AKR1B1KDM1AMEN1KMT2ASIGMAR1
SCHEMBL11393939 0.74 KDM1A (0.46) AKR1B1KDM1AHDAC9MEN1KMT2A

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
CN-100422181-C [1,8] naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2008-10-01 CN disclosed
CN-1839134-A [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2006-09-27 CN disclosed