SCHEMBL5707349

SCHEMBL5707349

O=C(O)c1ccccc1C(C(=O)C=Cc1ccccc1)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ABCC1 P33527 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ BCHE P06276 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ MAOB P27338 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL5707346 1.00 OPRD1 (0.41) OPRD1MAPTABCC1MEN1KMT2A
SCHEMBL10901099 0.70 OPRD1 (0.50) OPRD1MEN1KMT2ARAB9AMAOB
SCHEMBL4559557 0.69 OPRD1 (0.46) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL2909561 0.68 KMT2A (0.73) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL2909559 0.68 KMT2A (0.73) MAPTMEN1KMT2ARAB9APOLB
Hydrochloric Acid SCHEMBL11550501 0.67 KMT2A (0.54) OPRD1MEN1KMT2APOLBLMNA
Piperazine SCHEMBL28235313 0.66 KMT2A (0.71) MAPTMEN1KMT2ARAB9APOLB
Hydrochloric Acid SCHEMBL10853332 0.66 KMT2A (0.71) MAPTMEN1KMT2ARAB9APOLB
Hydrochloric Acid SCHEMBL10853322 0.66 KMT2A (0.71) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL29557138 0.66 SLC6A2 (0.48) OPRD1MEN1KMT2ALMNACYP2D6

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
EP-1718628-A1 CINNAMIC AMIDES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Active Biotech AB (SE) 2006-11-08 — — EP disclosed
WO-2005080362-A1 CINNAMIC AMIDES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ACTIVE BIOTECH AB (SE) 2005-09-01 — — WO disclosed
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