SCHEMBL5690949

SCHEMBL5690949

CC(C)(C)c1ccc2c(c1)CCC2N.CC(C)(C)c1ccc2c(c1)CC[C@H]2N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.37
TRPV4 Q9HBA0 1/20 0.37
SRD5A1 P18405 1/20 0.37
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PNMT P11086 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL1856329 1.00 TRPV1 (0.37) TRPV1TRPV4SRD5A1ACHEALDH1A1
SCHEMBL1866161 1.00 TRPV1 (0.37) TRPV1TRPV4SRD5A1ACHEALDH1A1
SCHEMBL1855926 1.00 TRPV1 (0.37) TRPV1TRPV4SRD5A1ACHEALDH1A1
SCHEMBL20841081 0.86 ACHE (0.44) ACHEALDH1A1MEN1GAAMAPT
SCHEMBL1859627 0.82 IDH1 (0.34) TRPV1TRPV4SRD5A1ACHEPNMT
SCHEMBL24452647 0.82 PNMT (0.53) TRPV1SRD5A1PNMTCYP11B1CYP11B2
SCHEMBL1863996 0.82 PNMT (0.53) TRPV1SRD5A1PNMTCYP11B1CYP11B2
SCHEMBL15086540 0.82 PNMT (0.53) TRPV1SRD5A1PNMTCYP11B1CYP11B2
SCHEMBL29495985 0.82 PNMT (0.53) TRPV1SRD5A1PNMTCYP11B1CYP11B2
SCHEMBL5469511 0.82 CYP2D6 (0.40) TRPV1ACHE

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-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 WO disclosed