SCHEMBL933704

SCHEMBL933704

Cc1ccc(CCCc2ccccc2O)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.41
SLC6A4 P31645 2/20 0.41
MAPT P10636 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MGLL Q99685 1/20 0.39
HTR1A P08908 1/20 0.38
HSPA5 P11021 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.37
DAO P14920 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IAPP P10997 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 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
SCHEMBL8797884 0.77 HRH1 (0.51) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL4967651 0.75 TAAR1 (0.65) MPOSLC6A4TAAR1MGLLHTR1A
SCHEMBL8665678 0.74 CCR1 (0.41) MAPTSMN1; SMN2KMT2ADAONPC1
SCHEMBL10438887 0.73 TAAR1 (0.62) MPOSLC6A4TAAR1MGLLHTR1A
SCHEMBL18682734 0.73 CCR1 (0.52) MAPTKMT2ADAORAB9A
SCHEMBL20099862 0.73 PDE10A (0.42) MAPTSMN1; SMN2KMT2ADAONPC1
SCHEMBL798358 0.73 CYP2C19 (0.46) TAAR1SMN1; SMN2RAB9A
SCHEMBL933038 0.73 NPSR1 (0.55) MAPTTAAR1SMN1; SMN2KMT2A
SCHEMBL12040589 0.72 RAB9A (0.50) SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9921222 0.72 ALDH1A1 (0.44) MAPTSMN1; SMN2KMT2ANPC1RAB9A

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-2451781-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR Givaudan SA (CH) 2012-05-16 EP disclosed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 WO disclosed