SCHEMBL8045249

SCHEMBL8045249

CN(CCCCNC(=O)c1ccccc1)CC1Cc2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.48
SIGMAR1 Q99720 7/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NAAA Q02083 1/20 0.45
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
NAMPT P43490 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACKR3 P25106 1/20 0.44
HRH1 P35367 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
DRD4 P21917 1/20 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
SCHEMBL8036154 0.97 SIGMAR1 (0.47) TMEM97SIGMAR1NPC1HPGDRAB9A
SCHEMBL8035853 0.89 DRD2 (0.48) TMEM97SIGMAR1HDAC1HDAC2HDAC8
SCHEMBL8035914 0.85 HDAC1 (0.41) TMEM97SIGMAR1HDAC1HDAC2HDAC8
SCHEMBL8787135 0.85 KDM4E (0.48) HDAC1DRD2DRD3NPC1HPGD
SCHEMBL8053417 0.82 SIGMAR1 (0.47) TMEM97SIGMAR1NPC1RAB9AACKR3
SCHEMBL8046351 0.82 NPC1 (0.51) HDAC1HDAC2HDAC8HDAC6NAAA
SCHEMBL10566240 0.81 ALDH1A1 (0.50) HDAC6DRD2NAMPTHRH1ALDH1A1
Hydrochloric Acid SCHEMBL8152540 0.81 NPC1 (0.50) HDAC1HDAC2HDAC8HDAC6NAAA
SCHEMBL8035856 0.81 NAMPT (0.50) HDAC1HDAC2HDAC8HDAC6NAAA
SCHEMBL8046943 0.80 CCR6 (0.47) TMEM97SIGMAR1NPC1HPGDRAB9A

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