SCHEMBL8036049

SCHEMBL8036049

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.52
SIGMAR1 Q99720 6/20 0.52
ACKR3 P25106 1/20 0.52
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRK1 P41145 3/20 0.41
OPRM1 P35372 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 2/20 0.40
LMNA P02545 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL8053395 0.94 SIGMAR1 (0.58) TMEM97SIGMAR1ACKR3NPC1RAB9A
SCHEMBL8048207 0.93 SIGMAR1 (0.45) TMEM97SIGMAR1ACKR3NPC1RAB9A
SCHEMBL8053417 0.87 SIGMAR1 (0.47) TMEM97SIGMAR1ACKR3NPC1RAB9A
SCHEMBL8047896 0.84 NPC1 (0.45) TMEM97SIGMAR1ACKR3NPC1RAB9A
SCHEMBL8047459 0.84 NPC1 (0.49) TMEM97SIGMAR1NPC1RAB9AKMT2A
SCHEMBL8787114 0.81 ALDH1A1 (0.41) TMEM97SIGMAR1NPC1ALDH1A1LMNA
SCHEMBL8050607 0.81 SIGMAR1 (0.50) TMEM97SIGMAR1ACKR3NPC1RAB9A
SCHEMBL8046936 0.77 NAMPT (0.46) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL8053562 0.77 HPGD (0.42) TMEM97SIGMAR1NPC1RAB9AALDH1A1
SCHEMBL8787321 0.76 APP (0.43) TMEM97SIGMAR1ACKR3KMT2AALDH1A1

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