SCHEMBL14435687

SCHEMBL14435687

O=C(NC(CN1CCCCC1)c1ccccc1)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 1/20 0.53
SLC5A7 Q9GZV3 1/20 0.53
HRH3 Q9Y5N1 5/20 0.49
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
SRD5A1 P18405 1/20 0.48
UTS2R Q9UKP6 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
RAB9A P51151 1/20 0.44
GPR88 Q9GZN0 1/20 0.44

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
SCHEMBL12437594 0.90 LMNA (0.51) ALDH1A1LMNAPKMSLC5A7HRH3
SCHEMBL12437731 0.86 HRH3 (0.55) ALDH1A1LMNAPKMSLC5A7HRH3
SCHEMBL12437532 0.85 HRH3 (0.69) ALDH1A1LMNASLC5A7HRH3KMT2A
SCHEMBL12437525 0.85 HRH3 (0.69) ALDH1A1LMNASLC5A7HRH3KMT2A
SCHEMBL12437340 0.84 HRH3 (0.68) ALDH1A1LMNAPKMSLC5A7HRH3
SCHEMBL12437596 0.83 HRH3 (0.61) ALDH1A1LMNAHRH3KMT2AMEN1
SCHEMBL12437341 0.82 OPRM1 (0.61) ALDH1A1LMNAHRH3KMT2AMEN1
SCHEMBL12437334 0.82 OPRM1 (0.61) ALDH1A1LMNAHRH3KMT2AMEN1
SCHEMBL12437610 0.80 KMT2A (0.53) SLC5A7HRH3ROCK2ROCK1KMT2A
SCHEMBL12437762 0.79 HRH3 (0.52) ALDH1A1LMNAPKMSLC5A7HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007098086-A2 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2007-08-30 WO disclosed