SCHEMBL5489512

SCHEMBL5489512

Cc1ncc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NCC2CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.49
MAPK14 Q16539 5/20 0.43
SMO Q99835 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
KIT P10721 1/20 0.39
TSHR P16473 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAF1 P04049 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
SCHEMBL5490598 0.99 CRHR1 (0.50) CRHR1MAPK14SMONPC1RAB9A
SCHEMBL5487267 0.98 CRHR1 (0.47) CRHR1MAPK14SMONPC1RAB9A
SCHEMBL5488464 0.98 CRHR1 (0.47) CRHR1MAPK14SMONPC1RAB9A
SCHEMBL4551651 0.95 CRHR1 (0.45) CRHR1MAPK14SMONPC1RAB9A
SCHEMBL5490935 0.94 CRHR1 (0.45) CRHR1MAPK14SMOLCKKDR
SCHEMBL4408418 0.92 CRHR1 (0.48) CRHR1MAPK14RAF1
SCHEMBL14534670 0.92 MAPK14 (0.46) CRHR1MAPK14RAF1
SCHEMBL5489508 0.91 CRHR1 (0.49) CRHR1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL5487361 0.90 MAPK14 (0.47) CRHR1MAPK14RAF1
SCHEMBL5490596 0.90 CRHR1 (0.50) CRHR1MAPK14NPC1RAB9AMAPK1

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed