SCHEMBL4556887

SCHEMBL4556887

COC1CCN(c2ccc3cc(C(=O)O)ccc3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.55
HRH3 Q9Y5N1 5/20 0.52
MAP4K4 O95819 1/20 0.48
GRM1 Q13255 9/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1644052 0.82 HRH3 (0.54) HRH3HPGDTP53MEN1KMT2A
SCHEMBL1285141 0.81 HRH3 (0.53) HRH3MAP4K4NPC1MITFTP53
SCHEMBL1644303 0.80 HRH3 (0.53) HRH3HPGDTP53MEN1KMT2A
Hydrochloric Acid SCHEMBL18109905 0.80 HTR3A (0.60) HRH3TP53SMN1; SMN2MEN1KMT2A
SCHEMBL4307874 0.79 HRH3 (0.52) PTGER4HRH3TP53
SCHEMBL1645114 0.78 PIK3CA (0.58) HRH3HPGDMEN1KMT2A
SCHEMBL14575817 0.78 HRH3 (0.63) PTGER4HRH3NPC1RAB9AKMT2A
SCHEMBL12302240 0.78 ALDH1A1 (0.56) HRH3HPGDNPC1MITFTP53
SCHEMBL27109013 0.78 ACACB (0.49) HRH3GRM1TP53MEN1KMT2A
SCHEMBL27110450 0.77 PDE10A (0.53) HRH3GRM1NPC1RAB9A

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-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed