SCHEMBL23920415

SCHEMBL23920415

C=C/C(C(=C)CCC)=C(/N)N(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SIGMAR1 Q99720 3/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PLAU P00749 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
SCHEMBL21554017 0.80 FAAH (0.37) FAAHPHGDHMGLLSIGMAR1CA12
SCHEMBL14817523 0.72 LMNA (0.42) LMNAL3MBTL1KMT2AMEN1NPC1
SCHEMBL28752878 0.70 TP53 (0.46) TP53LMNAL3MBTL1KMT2AMEN1
SCHEMBL24426151 0.70 TP53 (0.39) FAAHPHGDHMGLLTP53CA12
SCHEMBL25630960 0.67 FAAH (0.45) FAAHPHGDHMGLLCA12CA1
SCHEMBL12411241 0.66 TP53 (0.44) FAAHPHGDHMGLLTP53SIGMAR1
SCHEMBL3399855 0.64 TP53 (0.65) TP53LMNAKMT2AMEN1ALDH1A1
SCHEMBL14817479 0.63 MTNR1A (0.41) LMNAL3MBTL1KMT2AMEN1NPC1
SCHEMBL20471127 0.63 TP53 (0.41) FAAHPHGDHMGLLTP53SIGMAR1
SCHEMBL23954324 0.62 TP53 (0.47) TP53L3MBTL1KMT2AMEN1ALDH1A1

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
EP-3892623-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 — — EP disclosed
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