SCHEMBL9514825

SCHEMBL9514825

CN(C)N1C(=O)CCc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.38
MTNR1A P48039 1/20 0.38
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DRD2 P14416 2/20 0.34
CHRM1 P11229 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL46384 0.78 SRD5A1 (0.45) CRBNMTNR1AHDAC1HDAC6ADRA2A
SCHEMBL28618030 0.75 GRIN2D (0.40) CRBNMTNR1AHDAC1HDAC6ADRA2A
SCHEMBL28708105 0.74 CYP1A2 (0.48) CRBNMTNR1AHDAC1HDAC6ADRA2A
SCHEMBL13019291 0.74 MTNR1A (0.38) CRBNMTNR1AHDAC1HDAC6HDAC8
SCHEMBL28709051 0.74 MTNR1A (0.38) CRBNMTNR1AHDAC1HDAC6HDAC8
SCHEMBL21216167 0.70 MTNR1A (0.38) CRBNMTNR1AHDAC1HDAC6ADRA2A
SCHEMBL29415783 0.69 MTNR1A (0.42) MTNR1AHDAC1HDAC6ADRA2AADRA2B
SCHEMBL19224617 0.69 MTNR1A (0.42) MTNR1AHDAC1HDAC6ADRA2AADRA2B
SCHEMBL28685861 0.68 POLB (0.61) HDAC1HDAC6HDAC8DRD2CHRM1
SCHEMBL8736481 0.67 ALDH1A1 (0.38)

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
JP-5017475-A None JP disclosed
JP-H0517475-A NEW 3,4-DIHYDRO-1,8-NAPHTHYRIDINE DERIVATIVE AND ANTI-BRONCHIAL ASTHMATIC CONTAINING THE SAME DERIVATIVE SAPPORO BREWERIES LTD 1993-01-26 JP disclosed