SCHEMBL8036154

SCHEMBL8036154

CN(CCCNC(=O)c1ccccc1)CC1Cc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.47
TMEM97 Q5BJF2 14/20 0.47
ACKR3 P25106 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH1 P35367 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL8045249 0.97 TMEM97 (0.48) SIGMAR1TMEM97ACKR3NPC1HPGD
SCHEMBL8035853 0.85 DRD2 (0.48) SIGMAR1TMEM97NPC1HPGDRAB9A
SCHEMBL8053417 0.85 SIGMAR1 (0.47) SIGMAR1TMEM97ACKR3NPC1RAB9A
SCHEMBL8046943 0.83 CCR6 (0.47) SIGMAR1TMEM97ACKR3NPC1HPGD
SCHEMBL8035914 0.82 HDAC1 (0.41) SIGMAR1TMEM97NPC1HPGDRAB9A
SCHEMBL10566240 0.82 ALDH1A1 (0.50) HRH1ALDH1A1LMNA
SCHEMBL8787135 0.81 KDM4E (0.48) NPC1HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL8046351 0.81 NPC1 (0.51) NPC1HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL8045277 0.81 NPC1 (0.51) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8048207 0.81 SIGMAR1 (0.45) SIGMAR1TMEM97ACKR3NPC1HPGD

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 5 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 claimed
US-5792791-A FOR PREVENTION AND TREATMENT OF SEROTONERGIC NEURON-RELATED DISEASES; HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-08-11 US claimed
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