SCHEMBL8047896

SCHEMBL8047896

O=C(NCCN(CC1Cc2ccccc2O1)C(=O)OCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
ACKR3 P25106 1/20 0.45
CHRM4 P08173 2/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 2/20 0.39
CCR3 P51677 1/20 0.38
SLC6A12 P48065 1/20 0.38
MCHR1 Q99705 1/20 0.38
NAMPT P43490 1/20 0.38
SSTR3 P32745 1/20 0.38
CCR6 P51684 1/20 0.38
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8050607 0.95 SIGMAR1 (0.50) NPC1RAB9ATMEM97SIGMAR1ACKR3
SCHEMBL8053562 0.93 HPGD (0.42) NPC1RAB9ATMEM97SIGMAR1CCR6
SCHEMBL8046943 0.88 CCR6 (0.47) NPC1RAB9ATMEM97SIGMAR1ACKR3
SCHEMBL8053341 0.85 RAB9A (0.47) NPC1RAB9ASIGMAR1KMT2ASMN1; SMN2
SCHEMBL8036049 0.84 TMEM97 (0.52) NPC1RAB9ATMEM97SIGMAR1ACKR3
SCHEMBL8788877 0.82 NR1D1 (0.39) NPC1CCR6PAX8ALDH1A1
SCHEMBL8053395 0.81 SIGMAR1 (0.58) NPC1RAB9ATMEM97SIGMAR1ACKR3
SCHEMBL8045372 0.80 ACKR3 (0.43) NPC1RAB9ATMEM97SIGMAR1ACKR3
SCHEMBL8787265 0.77 CCR6 (0.42) TMEM97SIGMAR1CCR6PAX8ALDH1A1
SCHEMBL8048207 0.77 SIGMAR1 (0.45) NPC1RAB9ATMEM97SIGMAR1ACKR3

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-0679649-B1 2,3-Dihydrobenzofuran Derivatives ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed