SCHEMBL8045277

SCHEMBL8045277

O=C(NCCCNCC1Cc2ccccc2O1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
HTR1A P08908 3/20 0.51
HTR1D P28221 3/20 0.51
NAMPT P43490 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
ALOX12 P18054 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL8046351 0.98 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDHTR1A
Hydrochloric Acid SCHEMBL8152540 0.96 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8035856 0.96 NAMPT (0.50) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8049993 0.93 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8045607 0.91 NAMPT (0.49) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8652055 0.89 HTR1A (0.50) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8044952 0.89 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8045208 0.89 NAMPT (0.52) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8035863 0.87 NAMPT (0.53) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8045257 0.86 NAMPT (0.55) NPC1RAB9ASMN1; SMN2HPGDHTR1A

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