SCHEMBL31018488

SCHEMBL31018488

c1ccc(CC[C@H]2CNCc3ccccc3N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL6616396 1.00 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL31018491 1.00 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL31018502 1.00 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4138679 0.78 MTNR1A (0.48)
SCHEMBL4551372 0.78 TACR2 (0.40)
SCHEMBL7681443 0.78 CREBBP (0.45) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7488882 0.76 GAA (0.44) MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4817473 0.73 KDM4E (0.45)
SCHEMBL28923974 0.72 GRIN2B (0.44)
SCHEMBL6633357 0.71 ALDH1A1 (0.40) MEN1KMT2A

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-2024158698-A1 NOVEL F-ATPASE HYDROLASE INHIBITORS LUCY THERAPEUTICS, INC. (US) 2024-08-02 WO disclosed