SCHEMBL2861634

SCHEMBL2861634

Cc1ccccc1CCNC(=O)Oc1cnn(-c2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TP53 P04637 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL2850323 0.91 MAPT (0.47) RAB9ANPC1PKMTAAR1ALDH1A1
SCHEMBL2857276 0.89 RAB9A (0.47) RAB9ANPC1PKMHPGDMAPK1
SCHEMBL2856602 0.89 RIPK1 (0.46) HPGDMAPK1MAPTTP53
SCHEMBL2852350 0.87 NPC1 (0.53) RAB9ANPC1HPGDMAPK1TAAR1
SCHEMBL2861640 0.87 ALDH1A1 (0.45) RAB9APKMMAPK1ALDH1A1MAPT
SCHEMBL2860131 0.86 ALDH1A1 (0.46) HPGDTAAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2854704 0.83 P2RX7 (0.48) PKMHPGDMAPK1ALDH1A1MAPT
SCHEMBL2858580 0.83 HIF1A (0.43) RAB9ANPC1MAPK1TAAR1MAPT
SCHEMBL2859872 0.83 TAAR1 (0.54) RAB9ANPC1HPGDTAAR1ALDH1A1
SCHEMBL2854887 0.82 HPGD (0.49) RAB9ANPC1HPGDSMN1; SMN2

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed