SCHEMBL25435546

SCHEMBL25435546

C[C@@H]1CN(c2ccc(N=C(c3ccccc3)c3ccccc3)nn2)C[C@H](C)N1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.38
▸ HSD11B1 P28845 2/20 0.36
▸ SMO Q99835 7/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ CHRNA7 P36544 3/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRM2 P08172 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
SCHEMBL30427022 0.86 HDAC1 (0.39) CHRM4HSD11B1
SCHEMBL25197266 0.85 SMO (0.43) SMO
SCHEMBL25189421 0.85 SMO (0.43) SMO
SCHEMBL25193461 0.80 HDAC1 (0.37) CHRM4CHRM2
SCHEMBL21403160 0.78 KDM4E (0.41) —
SCHEMBL30427037 0.77 HDAC1 (0.51) SMO
SCHEMBL25181015 0.77 HSD11B1 (0.39) CHRM4HSD11B1HCAR2CHRNA7HTR3A
SCHEMBL21403214 0.77 SLC6A7 (0.36) SMO
SCHEMBL25187820 0.74 KMT2A (0.57) CHRNB4CHRNA3MEN1KMT2A
SCHEMBL30459603 0.72 BPTF (0.48) HTR3A

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-2023092098-A1 HETEROCYCLIC AMIDES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-25 — — WO disclosed
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