SCHEMBL18743918

SCHEMBL18743918

Cn1[nH]c(=O)c(CNC(=O)C(C)(C)C)c1CN1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ SIGMAR1 Q99720 5/20 0.32
▸ DRD4 P21917 3/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL17789034 0.99 DRD4 (0.32) MAPTSIGMAR1DRD4DRD2BRPF1
SCHEMBL17789036 0.88 CNR2 (0.39) KDM4E
SCHEMBL17792575 0.85 KDM4E (0.36) MAPTPABPC1ALDH1A1KDM4EALOX15
SCHEMBL17789055 0.79 BRPF1 (0.38) MAPTSIGMAR1DRD4DRD2BRPF1
SCHEMBL17789037 0.76 DRD4 (0.34) SIGMAR1DRD4DRD2MEN1KMT2A
SCHEMBL17792540 0.74 MTNR1B (0.36) KMT2AALDH1A1
SCHEMBL17789027 0.71 ALDH1A1 (0.37) MAPTDRD4DRD2ALDH1A1KDM4E
SCHEMBL17789035 0.67 DAO (0.44) DRD4DRD2MEN1KMT2A
SCHEMBL8135888 0.66 DRD4 (0.55) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL17792545 0.65 ALDH1A1 (0.39) MAPTBRPF1MEN1KMT2AALDH1A1

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
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — US disclosed
Send feedback