SCHEMBL31261067

SCHEMBL31261067

CC1(Oc2cc(Cl)c(F)cc2C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ NOS2 P35228 2/20 0.42
▸ BCL2A1 Q16548 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ SLC22A12 Q96S37 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KHK P50053 1/20 0.34
▸ AR P10275 5/20 0.34
▸ LRRK2 Q5S007 1/20 0.32
▸ TRPV4 Q9HBA0 3/20 0.32
▸ EGFR P00533 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ CYP11B2 P19099 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
SCHEMBL30718081 1.00 CYP2D6 (0.42) CYP2D6SLC6A2SLC6A4NOS2BCL2A1
SCHEMBL31388151 0.79 TRPV4 (0.33) ALDH1A1LRRK2TRPV4CYP11B2
SCHEMBL21691198 0.77 CYP2D6 (0.48) CYP2D6SLC6A2SLC6A4NOS2BCL2A1
SCHEMBL31376036 0.77 CYP2D6 (0.48) CYP2D6SLC6A2SLC6A4NOS2BCL2A1
SCHEMBL25400457 0.75 BCL2A1 (0.45) CYP2D6SLC6A2SLC6A4NOS2BCL2A1
SCHEMBL31388106 0.75 AR (0.40) SLC22A12ALDH1A1AR
SCHEMBL30430517 0.75 BCL2A1 (0.45) CYP2D6SLC6A2SLC6A4NOS2BCL2A1
SCHEMBL31375971 0.74 CYP2D6 (0.46) CYP2D6SLC6A2SLC6A4NOS2BCL2A1
SCHEMBL7696698 0.73 CYP2D6 (0.39) CYP2D6SLC6A2SLC6A4NOS2BCL2A1
SCHEMBL7695111 0.73 BCL2A1 (0.40) CYP2D6SLC6A2SLC6A4NOS2BCL2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490500-A PRMT5 inhibitor, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2025-02-21 — — CN disclosed
WO-2025011574-A1 PRMT5 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海艾力斯医药科技股份有限公司 2025-01-16 — — WO disclosed
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