SCHEMBL23033502

SCHEMBL23033502

Cn1nnc(C(c2ccccc2)N2CCNCC23CC3)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ USP2 O75604 4/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2C19 P33261 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ OPRD1 P41143 9/20 0.34
▸ OPRM1 P35372 4/20 0.34
▸ OPRK1 P41145 3/20 0.34
▸ OPRL1 P41146 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33

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
SCHEMBL23542071 0.80 MEN1 (0.59) MEN1KMT2AUSP2CYP2D6CYP2C9
SCHEMBL23033432 0.80 MEN1 (0.59) MEN1KMT2AUSP2CYP2D6CYP2C9
SCHEMBL23542069 0.80 MEN1 (0.59) MEN1KMT2AUSP2CYP2D6CYP2C9
SCHEMBL23012939 0.76 USP2 (0.50) NPSR1GPR55MEN1KMT2AUSP2
SCHEMBL23012297 0.75 MEN1 (0.39) NPSR1MEN1KMT2AUSP2CYP2D6
SCHEMBL23012922 0.75 MEN1 (0.39) NPSR1MEN1KMT2AUSP2CYP2D6
SCHEMBL29479712 0.74 CYP3A4 (0.49) NPSR1GPR55USP2CYP2D6CYP2C9
SCHEMBL23033332 0.73 CYP3A4 (0.66) NPSR1GPR55MEN1KMT2AUSP2
SCHEMBL31165952 0.71 CYP2D6 (0.39) NPSR1GPR55MEN1KMT2AUSP2
SCHEMBL31165945 0.71 ATM (0.41) MEN1KMT2ACYP2D6CYP2C9CYP3A4

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-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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