SCHEMBL6065636

SCHEMBL6065636

Clc1ccc(N2CCNCC2)cc1Cl.O=C(Nc1cccc2cnccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.55
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 3/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 1/20 0.47
PANK3 Q9H999 1/20 0.46
ADRB1 P08588 1/20 0.46
ROCK2 O75116 1/20 0.45

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
SCHEMBL4030535 0.94 TRPV1 (0.60) TRPV1KDM4ELMNANPSR1TP53
Chlorophenylpiperazine SCHEMBL6066023 0.91 TRPV1 (0.56) TRPV1KDM4ELMNANPSR1TP53
SCHEMBL6065378 0.90 TRPV1 (0.57) TRPV1KDM4ELMNANPSR1MAPT
SCHEMBL6066045 0.87 TRPV1 (0.54) TRPV1KDM4ELMNANPSR1HSD17B10
SCHEMBL4025813 0.85 TRPV1 (0.62) TRPV1KDM4ELMNANPSR1TP53
SCHEMBL4028254 0.83 TRPV1 (0.63) TRPV1KDM4ELMNANPSR1MAPT
SCHEMBL4023560 0.81 TRPV1 (0.60) TRPV1KDM4ELMNANPSR1MAPT
SCHEMBL4019725 0.80 TRPV1 (0.63) TRPV1KDM4ELMNANPSR1HSD17B10
SCHEMBL4019682 0.79 MAPT (0.55) TRPV1KDM4ELMNANPSR1TP53
SCHEMBL4023952 0.78 TRPV1 (0.69) TRPV1KDM4ELMNANPSR1HSD17B10

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-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
EP-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed