SCHEMBL3146047

SCHEMBL3146047

CNC1(CNc2cnc(Cl)c(-c3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
AR P10275 4/20 0.39
CYP11B2 P19099 3/20 0.36
EGLN1 Q9GZT9 2/20 0.35
P2RX7 Q99572 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HCRTR1 O43613 1/20 0.33
CNR1 P21554 1/20 0.33

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
Hydrochloric Acid SCHEMBL3774537 0.99 KDM1A (0.39) KDM1AARCYP11B2EGLN1P2RX7
SCHEMBL3151084 0.87 CHRNB4 (0.40) KDM4E
Hydrochloric Acid SCHEMBL3779005 0.86 CHRNB4 (0.39) KDM4E
SCHEMBL3141366 0.85 SYK (0.37)
SCHEMBL3142559 0.84 PIK3CD (0.34) CYP11B2
SCHEMBL3151443 0.80 KDM1A (0.43) KDM1A
Hydrochloric Acid SCHEMBL3779588 0.79 KDM1A (0.42) KDM1A
SCHEMBL3146697 0.79 ABL1 (0.39)
SCHEMBL3152381 0.79 AR (0.38) KDM1AAREGLN1P2RX7EGLN2
SCHEMBL3152373 0.78 EGLN1 (0.41) KDM1AAREGLN1P2RX7

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-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed