SCHEMBL8668808

SCHEMBL8668808

[O-][N+]1(Cc2ccc(F)cc2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
IDO1 P14902 3/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
LSS P48449 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CHRNA7 P36544 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
AGXT P21549 2/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5871483 0.81 TAAR1 (0.45) IDO1LOXL2TAAR1
Hydrochloric Acid SCHEMBL5812081 0.81 IDO1 (0.34) IDO1LOXL2TAAR1AGXTRAB9A
SCHEMBL596253 0.79 HIF1A (0.39) CHRNB2CHRNA4LSSCHRNA7ALDH1A1
SCHEMBL11846749 0.77 HIF1A (0.41) CHRNB2CHRNA4IDO1LOXL2CHRNA7
SCHEMBL270821 0.76 SIGMAR1 (0.41) CHRNB2CHRNA4LSSCHRNA7ALDH1A1
SCHEMBL1983107 0.73 CHRNA7 (0.61) CHRNB2CHRNA4IDO1LOXL2TAAR1
SCHEMBL1831948 0.72 HIF1A (0.41) CHRNB2CHRNA4IDO1LOXL2ALDH1A1
SCHEMBL5030489 0.72 PLA2G1B (0.33) TAAR1ALDH1A1RAB9A
SCHEMBL12493084 0.67 MAOB (0.43) CHRNA7
SCHEMBL15804405 0.67 HPGD (0.35) CHRNB2CHRNA4IDO1LOXL2TAAR1

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-0880512-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1998-12-02 EP disclosed
WO-1997028141-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed