SCHEMBL186012

SCHEMBL186012

O=C(CN1CC2CCC(C1)N2c1ccccn1)N1CC=C(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
TRPV1 Q8NER1 5/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL187250 0.91 TRPV1 (0.41) MAPTALDH1A1LMNAGAATRPV1
SCHEMBL186236 0.90 TRPV1 (0.39) MAPTALDH1A1LMNAGAATRPV1
SCHEMBL186795 0.89 TRPV1 (0.39) MAPTLMNATRPV1MAPK1NAMPT
SCHEMBL186121 0.88 TRPV1 (0.42) MAPTALDH1A1TRPV1MEN1KMT2A
SCHEMBL185519 0.88 TRPV1 (0.39) TRPV1MAPK1NAMPTLIMK1LIMK2
SCHEMBL300628 0.87 TRPV1 (0.39) TRPV1MAPK1NAMPTCNR1LIMK1
SCHEMBL186522 0.87 PDE10A (0.38) MAPTALDH1A1LMNATRPV1MAPK1
SCHEMBL186303 0.86 ALDH1A1 (0.42) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL186423 0.86 TRPV1 (0.37) TRPV1MAPK1NAMPTLIMK1LIMK2
SCHEMBL186908 0.86 TRPV1 (0.42) MAPTTRPV1MAPK1NAMPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297148-B8 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-03-28 EP disclosed
EP-2297148-B1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-01-04 EP disclosed
EP-2297148-A1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS Sanofi-Aventis (FR) 2011-03-23 EP disclosed
WO-2009150388-A1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2009-12-17 WO disclosed