SCHEMBL17870707

SCHEMBL17870707

COc1ccc(N)c(CCNC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HPGDS O60760 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL3655207 0.87 DRD4 (0.42) DRD4SIGMAR1ALDH1A1TSHRRXFP1
SCHEMBL30178331 0.86 ALDH1A1 (0.56) ALDH1A1EPHX2
SCHEMBL19873971 0.83 SIGMAR1 (0.41) SIGMAR1HPGDSEPHX2
SCHEMBL17870715 0.83 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL17870716 0.83 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL17870765 0.82 DRD4 (0.40) DRD4SIGMAR1ALDH1A1TSHRMTNR1A
SCHEMBL14410272 0.82 MAPT (0.46) ALDH1A1TSHRKDM4EGRIN1GRIN2B
SCHEMBL3655127 0.81 MCHR1 (0.42) DRD4SIGMAR1ALDH1A1TSHRRXFP1
SCHEMBL2258425 0.81 KMT2A (0.60) DRD4SIGMAR1ALDH1A1
SCHEMBL2102675 0.80 DRD4 (0.47) DRD4ALDH1A1KDM4EGRIN2B

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