SCHEMBL8478313

SCHEMBL8478313

COC(=O)C1([C@@H](C#N)NCCc2ccccc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ANPEP P15144 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 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
SCHEMBL8335782 1.00 CTSB (0.41) CTSBCTSSCTSLCYP3A4CYP2C19
SCHEMBL7862909 0.76 PPID (0.43) CYP3A4CYP2C19MEN1KMT2AKDM4E
SCHEMBL30683853 0.69 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL27994909 0.68 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL24457722 0.67 SIGMAR1 (0.63) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL4837691 0.66 CTSC (0.49) CTSSMEN1KMT2AALDH1A1MAPT
SCHEMBL9585875 0.66 CYP4F2 (0.57) MEN1KMT2AALDH1A1MAPT
SCHEMBL5722434 0.66 MEN1 (0.43) CTSBCTSSCYP3A4CYP2C19MEN1
SCHEMBL13904680 0.66 CTSB (0.43) CTSBCTSSCTSLCYP3A4ALDH1A1
SCHEMBL7733774 0.66 MAPT (0.55) CYP2C19MEN1KMT2AALDH1A1MAPT

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-5948935-A Process and intermediates for (s)-α-amino-1-carboxycyclopentaneacetic acid BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-09-07 US disclosed