SCHEMBL17870765

SCHEMBL17870765

CSc1ccc(N)c(CCNC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 1/20 0.40
MCHR1 Q99705 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD2 P14416 3/20 0.35
FAAH O00519 1/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
DRD3 P35462 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL30178438 0.86 GPR119 (0.49) KDM4ELMNAMAPK1ALDH1A1
SCHEMBL19873705 0.83 HTR4 (0.39) DRD4KDM4ELMNAMCHR1HPGD
SCHEMBL17870726 0.83 ALDH1A1 (0.40) DRD4KDM4ELMNAMCHR1HPGD
SCHEMBL17870727 0.83 ALDH1A1 (0.40) DRD4KDM4ELMNAMCHR1HPGD
SCHEMBL17870707 0.82 DRD4 (0.42) DRD4KDM4ESIGMAR1MTNR1AMTNR1B
SCHEMBL28644008 0.82 LMNA (0.35) DRD4KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL2102675 0.80 DRD4 (0.47) DRD4KDM4ESMN1; SMN2CHRM2CHRM5
SCHEMBL22401734 0.79 SMN1; SMN2 (0.35) KDM4ELMNAMCHR1SMN1; SMN2DRD2
SCHEMBL16616134 0.74 SLC6A12 (0.45) DRD4KDM4ESMN1; SMN2CHRM2CHRM5
SCHEMBL3251344 0.72 DRD4 (0.39) DRD4KDM4ELMNASMN1; SMN2CHRM2

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