SCHEMBL21739672

SCHEMBL21739672

CC(=O)N[C@H]1CC[C@H](NC(=O)C2Cc3c(F)ccc(C)c3N2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
SMYD3 Q9H7B4 1/20 0.33
POLB P06746 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KDM1A O60341 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
BTK Q06187 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL21739657 0.89 EPHX2 (0.40) POLBKMT2A
SCHEMBL21739843 0.83 DRD2 (0.45) DRD2KMT2A
SCHEMBL21739383 0.81 KCNH2 (0.33)
SCHEMBL22053106 0.81 HTR2A (0.34) MTNR1AMTNR1BPOLBPSEN1PSEN2
SCHEMBL21740283 0.80 SETD2 (0.34) DRD2
SCHEMBL21739579 0.80 SETD2 (0.34) DRD2
SCHEMBL21739571 0.80 SETD2 (0.34) DRD2
SCHEMBL21739702 0.79 SETD2 (0.33) DRD2
SCHEMBL21739635 0.79 SMYD3 (0.48) SMYD3
SCHEMBL25038229 0.78 SETD2 (0.33) DRD2

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-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed