SCHEMBL30301396

SCHEMBL30301396

O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.70
SLC6A4 P31645 4/20 0.70
ACHE P22303 1/20 0.55
BACE1 P56817 1/20 0.55
PARP1 P09874 1/20 0.54
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
SLC6A3 Q01959 1/20 0.53
CCR3 P51677 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PLD2 O14939 1/20 0.53
PLD1 Q13393 1/20 0.53
TMEM97 Q5BJF2 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL27015546 1.00 SLC6A2 (0.70) SLC6A2SLC6A4ACHEBACE1PARP1
SCHEMBL27015770 0.90 SLC6A2 (0.72) SLC6A2SLC6A4PARP1KDM4EHSD17B10
SCHEMBL30301380 0.90 SLC6A2 (0.72) SLC6A2SLC6A4PARP1KDM4EHSD17B10
SCHEMBL27015989 0.89 SLC6A2 (0.71) SLC6A2SLC6A4ACHEBACE1PARP1
SCHEMBL30301405 0.89 SLC6A2 (0.71) SLC6A2SLC6A4ACHEBACE1PARP1
SCHEMBL30301376 0.89 SLC6A2 (0.70) SLC6A2SLC6A4ACHEBACE1PARP1
SCHEMBL27015752 0.89 SLC6A2 (0.70) SLC6A2SLC6A4ACHEBACE1PARP1
SCHEMBL27016437 0.88 SLC6A2 (0.89) SLC6A2SLC6A4PARP1KDM4EHSD17B10
SCHEMBL27008240 0.86 SLC6A2 (0.73) SLC6A2SLC6A4ACHEPARP1KDM4E
SCHEMBL24076563 0.86 SLC6A2 (0.67) SLC6A2SLC6A4ACHEBACE1PARP1

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-4159725-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2023-04-05 EP disclosed