SCHEMBL6184546

SCHEMBL6184546

CCC(=N)Nc1ccc(CCNC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.49
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
FPR2 P25090 4/20 0.45
EPHX1 P07099 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
S1PR1 P21453 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
SCHEMBL6167751 0.81 NAMPT (0.58) CNR1MAPTKMT2ALMNA
SCHEMBL23928207 0.78 NPC1 (0.47) CNR1MAPTMEN1KMT2AALDH1A1
SCHEMBL23928122 0.77 CNR1 (0.49) CNR1MAPTKMT2AALDH1A1FPR2
SCHEMBL4511148 0.77 KDM4E (0.52) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL16620097 0.76 NPC1 (0.56) CNR1MAPTMEN1KMT2AALDH1A1
SCHEMBL19876843 0.75 CNR1 (0.50) CNR1MAPTMEN1KMT2AFPR2
SCHEMBL4584283 0.75 NPC1 (0.64) CNR1MAPTKMT2ANPC1RAB9A
SCHEMBL19066251 0.74 KDM4E (0.64) CNR1MAPTMEN1KMT2AALDH1A1
SCHEMBL14612489 0.73 RAB9A (0.77) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4648147 0.73 POLB (0.52) MAPTMEN1KMT2ANPC1RAB9A

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-1494667-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
WO-2003086390-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed