SCHEMBL8046351

SCHEMBL8046351

O=C(NCCCCNCC1Cc2ccccc2O1)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 1/20 0.48
HTR1D P28221 1/20 0.48
NAMPT P43490 2/20 0.48
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 2/20 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
SCHEMBL8035856 0.99 NAMPT (0.50) NPC1RAB9ASMN1; SMN2HPGDHTR1A
Hydrochloric Acid SCHEMBL8152540 0.99 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8045277 0.98 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8049993 0.93 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8044952 0.91 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8652055 0.91 HTR1A (0.50) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8045208 0.91 NAMPT (0.52) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8035863 0.89 NAMPT (0.53) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8045607 0.89 NAMPT (0.49) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL8045257 0.88 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