SCHEMBL24070848

SCHEMBL24070848

C=C(N)N1CCN2CCC[C@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
SHMT2 P34897 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRM1 P11229 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CHRM5 P08912 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL16515908 0.81 L3MBTL3 (0.42) SHMT2MEN1KMT2AALDH1A1HPGD
SCHEMBL23367198 0.81 TP53 (0.38) PHGDHMGLLSHMT2MEN1KMT2A
SCHEMBL4014698 0.77 L3MBTL3 (0.42) SHMT2ALDH1A1CHRNA7CHRM1HRH3
SCHEMBL31707149 0.76 L3MBTL3 (0.49) SHMT2CHRM1HRH3L3MBTL3L3MBTL1
SCHEMBL31664986 0.74 CHRM1 (0.46) ALDH1A1CHRNA7CHRM1HRH3L3MBTL3
SCHEMBL21885561 0.73 TP53 (0.44) SHMT2ALDH1A1CHRNA7CHRM1HRH3
SCHEMBL4550270 0.73 TP53 (0.44) SHMT2MEN1KMT2AALDH1A1HPGD
SCHEMBL24402953 0.73 TP53 (0.44) SHMT2MEN1KMT2AALDH1A1HPGD
SCHEMBL13767850 0.73 CHRNA7 (0.46) ALDH1A1CHRNA7CHRM1HRH3L3MBTL3
SCHEMBL30365109 0.73 TP53 (0.44) SHMT2ALDH1A1CHRNA7CHRM1HRH3

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-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 WO disclosed