SCHEMBL22728362

SCHEMBL22728362

CCC(C#N)(CC)Cc1ccccc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ OPRL1 P41146 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ DRD2 P14416 2/20 0.30
▸ PRKCQ Q04759 1/20 0.30

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
SCHEMBL22728309 0.80 KDM4C (0.35) MEN1KMT2AOPRL1
SCHEMBL22728386 0.80 OPRL1 (0.36) SLC6A4SLC6A2OPRL1DRD2
SCHEMBL7135459 0.72 HCRTR2 (0.45) SLC6A4SLC6A2SLC6A3LMNAHCRTR2
SCHEMBL28206834 0.71 PTGDR2 (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL22728321 0.71 IDO1 (0.42) SLC6A4SLC6A2KMT2ALMNA
SCHEMBL954765 0.71 ALDH1A1 (0.42) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Formaldehyde SCHEMBL27876727 0.68 PTGDR2 (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL2913534 0.68 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL22728302 0.68 RIPK1 (0.41) —
SCHEMBL5821254 0.67 PTGDR2 (0.46) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 — — WO disclosed
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