SCHEMBL8657131

SCHEMBL8657131

C[C](Cc1ccccc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
HRH1 P35367 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SLC6A3 Q01959 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40

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
SCHEMBL17801467 0.87 LMNA (0.46) L3MBTL1ALDH1A1GLAHPGDKMT2A
SCHEMBL8655174 0.79 GBA1 (0.47) GBA1SLC6A2SLC6A4HRH1L3MBTL1
SCHEMBL1477277 0.79 GBA1 (0.50) GBA1HRH1L3MBTL1ALDH1A1GLA
Hydrochloric Acid SCHEMBL9310454 0.77 GBA1 (0.49) GBA1HRH1L3MBTL1ALDH1A1GLA
SCHEMBL9385814 0.73 GBA1 (0.45) GBA1HRH1L3MBTL1ALDH1A1GLA
SCHEMBL20677801 0.73 GBA1 (0.45) GBA1HRH1L3MBTL1ALDH1A1GLA
SCHEMBL11127228 0.72 POLB (0.51) SLC6A2SLC6A4ALDH1A1SLC6A3
SCHEMBL11563161 0.70 PAM (0.51) GBA1HRH1L3MBTL1ALDH1A1KMT2A
Phenylacetic Acid SCHEMBL28337405 0.70 AKR1B1 (0.59) GBA1L3MBTL1ALDH1A1GLAHPGD
Ethylbenzene SCHEMBL27515696 0.69 TP53 (0.52) GBA1SLC6A2SLC6A4HRH1SLC18A3

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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US claimed