SCHEMBL17870704

SCHEMBL17870704

COc1ccc(N)c(C(C)CNC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
EPHX2 P34913 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HPGD P15428 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL30178466 0.87 ALDH1A1 (0.54) MAPTEPHX2LMNAALDH1A1
SCHEMBL19873976 0.84 ACHE (0.39) MAPTACHELMNAALDH1A1
SCHEMBL17870838 0.84 ALDH1A1 (0.44) MAPTHPGDLMNAALDH1A1
SCHEMBL17870837 0.84 ALDH1A1 (0.44) MAPTHPGDLMNAALDH1A1
SCHEMBL17870707 0.78 DRD4 (0.42) NOS3NOS1NOS2EPHX2MTNR1A
SCHEMBL30178389 0.75 TRPV1 (0.34) POLBEPHX2ADRB1ADRB3ALDH1A1
SCHEMBL22588134 0.74 NOS1 (0.47) MAPTNOS3NOS1NOS2ALDH1A1
SCHEMBL6820609 0.72 SLC2A1 (0.56) HPGDALDH1A1TSHR
SCHEMBL30178359 0.72 ALDH1A1 (0.51) MAPTEPHX2ALDH1A1
SCHEMBL4733035 0.72 KMT2A (0.54) POLBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
EP-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 WO disclosed