SCHEMBL8326384

SCHEMBL8326384

CC[C](c1ccccc1)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 2/20 0.40
CYP2D6 P10635 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH1 P35367 2/20 0.40
LMNA P02545 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
OPRD1 P41143 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
SLC6A4 P31645 3/20 0.38
KCNH2 Q12809 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 1/20 0.38
ATM Q13315 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
SCHEMBL10519134 0.83 ATM (0.41) MEN1KMT2ALMNAATM
SCHEMBL3587635 0.81 POLB (0.41) MEN1CYP2D6KMT2ALMNASCN1A
SCHEMBL818792 0.78 GBA1 (0.39) GBA1SLC18A3SIGMAR1MEN1CYP2D6
SCHEMBL12064486 0.76 HRH3 (0.46) GBA1SLC18A3SIGMAR1MEN1CYP2D6
SCHEMBL16655922 0.73 SLC6A4 (0.41) SIGMAR1MEN1CYP2D6KMT2AITGB3
SCHEMBL12064519 0.73 SIGMAR1 (0.42) GBA1SLC18A3SIGMAR1MEN1CYP2D6
SCHEMBL8655174 0.72 GBA1 (0.47) GBA1SLC18A3SIGMAR1MEN1CYP2D6
SCHEMBL16655925 0.72 KMT2A (0.39) SIGMAR1MEN1CYP2D6KMT2AITGB3
SCHEMBL817589 0.72 KMT2A (0.37) GBA1KMT2ASMYD3SLC6A4KCNH2
SCHEMBL408318 0.72 KMT2A (0.66) SLC18A3SIGMAR1MEN1CYP2D6KMT2A

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-0604494-B1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-07-28 EP disclosed
EP-0604494-A1 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-06 EP disclosed