SCHEMBL8053395

SCHEMBL8053395

O=C(NCCCN(Cc1ccccc1)CC1Cc2ccccc2O1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.58
TMEM97 Q5BJF2 11/20 0.58
ACKR3 P25106 2/20 0.58
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NAMPT P43490 1/20 0.43
CCR3 P51677 1/20 0.43
OPRM1 P35372 1/20 0.42

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
SCHEMBL8036049 0.94 TMEM97 (0.52) SIGMAR1TMEM97ACKR3NPC1RAB9A
SCHEMBL8053417 0.93 SIGMAR1 (0.47) SIGMAR1TMEM97ACKR3NPC1RAB9A
SCHEMBL8048207 0.87 SIGMAR1 (0.45) SIGMAR1TMEM97ACKR3NPC1RAB9A
SCHEMBL8050607 0.85 SIGMAR1 (0.50) SIGMAR1TMEM97ACKR3NPC1RAB9A
SCHEMBL8787321 0.82 APP (0.43) SIGMAR1TMEM97ACKR3OPRM1
SCHEMBL8047896 0.81 NPC1 (0.45) SIGMAR1TMEM97ACKR3NPC1RAB9A
SCHEMBL8035853 0.80 DRD2 (0.48) SIGMAR1TMEM97NPC1RAB9ANAMPT
SCHEMBL8036154 0.79 SIGMAR1 (0.47) SIGMAR1TMEM97ACKR3NPC1RAB9A
SCHEMBL8047459 0.79 NPC1 (0.49) SIGMAR1TMEM97NPC1RAB9AOPRM1
SCHEMBL8045208 0.78 NAMPT (0.52) SIGMAR1TMEM97ACKR3NPC1RAB9A

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-0679649-B1 2,3-Dihydrobenzofuran Derivatives ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
EP-0679649-A1 2,3-DIHYDROBENZOFURAN DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-11-02 EP disclosed