SCHEMBL28069271

SCHEMBL28069271

COc1cccc(C2CCN(Cc3ccc(CN)cc3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.64
CHRM4 P08173 1/20 0.57
SIGMAR1 Q99720 2/20 0.53
HTR2C P28335 2/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 1/20 0.49
MAPT P10636 1/20 0.47

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
SCHEMBL5577811 0.90 DRD2 (0.58) DRD2CHRM4SIGMAR1MEN1KMT2A
SCHEMBL22928142 0.83 DRD2 (0.62) DRD2CHRM4SIGMAR1MEN1KMT2A
SCHEMBL6353029 0.83 DRD2 (0.62) DRD2CHRM4SIGMAR1MEN1KMT2A
SCHEMBL8479052 0.83 DRD2 (0.78) DRD2SIGMAR1HTR2C
SCHEMBL8350724 0.81 DRD2 (0.79) DRD2CHRM4HTR2C
SCHEMBL8775737 0.81 MEN1 (0.74) DRD2SIGMAR1MEN1KMT2AACHE
SCHEMBL7480157 0.81 DRD2 (0.74) DRD2HTR2C
SCHEMBL27732411 0.80 KMT2A (0.56) SIGMAR1MEN1KMT2AACHE
SCHEMBL14067226 0.80 DRD2 (0.72) DRD2CHRM4HTR2C
Hydrochloric Acid SCHEMBL7985714 0.79 MEN1 (0.72) DRD2SIGMAR1MEN1KMT2AACHE

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
CN-105636438-A Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof CHEN JIANHONG 2016-06-01 CN claimed