SCHEMBL14640451

SCHEMBL14640451

CC(C)(C)c1ccc(-c2cncc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 17/20 0.67
▸ DRD4 P21917 17/20 0.67
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ MCHR1 Q99705 1/20 0.56
▸ HTR2A P28223 2/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC9 Q9UKV0 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55

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
SCHEMBL5606272 0.94 MEN1 (0.74) DRD2DRD4MEN1KMT2AMCHR1
SCHEMBL8706290 0.81 DRD2 (1.00) DRD2DRD4MCHR1HTR2A
SCHEMBL8707354 0.81 DRD2 (1.00) DRD2DRD4MCHR1HTR2A
SCHEMBL8712569 0.80 DRD4 (1.00) DRD2DRD4HTR2AHDAC3HDAC4
SCHEMBL8706135 0.79 DRD2 (1.00) DRD2DRD4MCHR1HTR2A
SCHEMBL7694198 0.79 DRD2 (0.85) DRD2DRD4MCHR1HTR2A
SCHEMBL7694199 0.79 DRD2 (0.85) DRD2DRD4MCHR1HTR2A
SCHEMBL8711822 0.78 DRD2 (0.85) DRD2DRD4MEN1KMT2AMCHR1
SCHEMBL8706273 0.78 DRD2 (0.89) DRD2DRD4HTR2A
SCHEMBL8706523 0.78 DRD2 (1.00) DRD2DRD4HTR2A

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
WO-2007011760-A2 INHIBITORS OF MITOTIC KINESIN KALYPSYS, INC. (US) 2007-01-25 — — WO disclosed
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