SCHEMBL8048207

SCHEMBL8048207

O=C(NCCN(Cc1ccccc1)CC1Cc2ccccc2O1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.45
TMEM97 Q5BJF2 9/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
OPRK1 P41145 6/20 0.42
OPRM1 P35372 3/20 0.42
ACKR3 P25106 1/20 0.41

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
SCHEMBL8053417 0.94 SIGMAR1 (0.47) SIGMAR1TMEM97NPC1RAB9AOPRM1
SCHEMBL8036049 0.93 TMEM97 (0.52) SIGMAR1TMEM97NPC1RAB9ASMN1; SMN2
SCHEMBL8047459 0.91 NPC1 (0.49) SIGMAR1TMEM97NPC1HPGDRAB9A
SCHEMBL8053395 0.87 SIGMAR1 (0.58) SIGMAR1TMEM97NPC1RAB9AOPRM1
SCHEMBL8787114 0.85 ALDH1A1 (0.41) SIGMAR1TMEM97NPC1HPGDALDH1A1
SCHEMBL8053562 0.82 HPGD (0.42) SIGMAR1TMEM97NPC1HPGDRAB9A
SCHEMBL8035853 0.81 DRD2 (0.48) SIGMAR1TMEM97NPC1HPGDRAB9A
SCHEMBL8036154 0.81 SIGMAR1 (0.47) SIGMAR1TMEM97NPC1HPGDRAB9A
SCHEMBL8787321 0.80 APP (0.43) SIGMAR1TMEM97HPGDALDH1A1LMNA
SCHEMBL8045249 0.80 TMEM97 (0.48) SIGMAR1TMEM97NPC1HPGDRAB9A

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 3 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
US-5792791-A FOR PREVENTION AND TREATMENT OF SEROTONERGIC NEURON-RELATED DISEASES; HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-08-11 US disclosed
EP-0679649-A1 2,3-DIHYDROBENZOFURAN DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-11-02 EP disclosed