SCHEMBL9005458

SCHEMBL9005458

NCC1CN(c2cccc(C(=O)O)n2)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 10/20 0.62
TTR P02766 1/20 0.50
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GNE Q9Y223 1/20 0.41
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HSD11B1 P28845 3/20 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
SCHEMBL7391628 0.90 PRKCQ (0.64) PRKCQTTRPIM1PIM3PIM2
SCHEMBL20031456 0.78 KDM4E (0.47) PRKCQTTRKDM4EALOX15TSHR
SCHEMBL8965879 0.78 PRKCQ (1.00) PRKCQ
Oxalic Acid SCHEMBL9005357 0.77 PRKCQ (0.48) PRKCQPIM1PIM3PIM2
SCHEMBL16834258 0.77 ALDH1A1 (0.47) TTRKDM4EALOX15TSHRACMSD
SCHEMBL20055871 0.77 ALDH1A1 (0.47) TTRKDM4EALOX15TSHRACMSD
SCHEMBL3469975 0.77 KDM4E (0.46) PRKCQTTRKDM4EALOX15TSHR
SCHEMBL31480075 0.77 TTR (0.47) PRKCQTTRKDM4EALOX15TSHR
SCHEMBL7393229 0.76 PRKCQ (0.52) PRKCQALOX15TSHRPIM1PIM3
SCHEMBL9005452 0.75 PRKCQ (0.63) PRKCQTTRKDM4EALOX15TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576320-A 1-heteruarylazetidines and -pyrrolidines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-11-19 US disclosed
US-5565474-A 1-heteroarylazetidines and -pyrrolidines process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-10-15 US disclosed
US-5410057-A 1-heteroarylazetidines and -pyrrolidines SANOFI (FR) 1995-04-25 US disclosed