SCHEMBL6689853

SCHEMBL6689853

O=C1CC2CCCC(c3ccccc3)N12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTT P42858 1/20 0.42
OPRM1 P35372 4/20 0.41
OPRK1 P41145 4/20 0.41
OPRL1 P41146 4/20 0.41
OPRD1 P41143 3/20 0.41
ALDH1A1 P00352 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
SLC18A3 Q16572 2/20 0.40
RIPK1 Q13546 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 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
SCHEMBL4511398 0.79 HTT (0.44) LMNANPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL13116656 0.75 SLC18A3 (0.46) LMNACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14350417 0.75 KMT2A (0.46) LMNACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL443828 0.72 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13040180 0.71 HTT (0.43) LMNANPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL4511389 0.71 HTT (0.46) LMNANPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL4511390 0.71 HTT (0.46) LMNANPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL13660513 0.70 CHRNB2 (0.56) LMNACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4522287 0.70 ALDH1A1 (0.48) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL2585749 0.70 ALDH1A1 (0.48) LMNAHTTALDH1A1MEN1KMT2A

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
WO-2004080583-A2 PROCESS FOR THE PREPARATION OF threo-METHYLPHENIDATE HYDROCHLORIDE ISP INVESTMENTS INC. (US) 2004-09-23 WO disclosed
WO-2004080959-A2 PROCESS FOR THE PREPARATION OF DEXMETHYLPHENIDATE HYDROCHLORIDE ISP INVESTMENTS INC. (US) 2004-09-23 WO disclosed