SCHEMBL8046936

SCHEMBL8046936

O=C(NCCNCC1Cc2ccccc2O1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
KMT2A Q03164 2/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
HTR1A P08908 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HPGD P15428 1/20 0.44
SSTR3 P32745 1/20 0.43
TSHR P16473 1/20 0.43
DHODH Q02127 1/20 0.43
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL8045208 0.93 NAMPT (0.52) NAMPTRAB9ANPC1HTR1ASMN1; SMN2
SCHEMBL8045607 0.93 NAMPT (0.49) NAMPTRAB9ANPC1HTR1ASMN1; SMN2
SCHEMBL8049993 0.91 SMN1; SMN2 (0.53) NAMPTRAB9ANPC1HTR1ASMN1; SMN2
SCHEMBL8046351 0.84 NPC1 (0.51) NAMPTRAB9ANPC1HTR1ASMN1; SMN2
SCHEMBL8045277 0.84 NPC1 (0.51) NAMPTRAB9ANPC1HTR1ASMN1; SMN2
Hydrochloric Acid SCHEMBL8152540 0.83 NPC1 (0.50) NAMPTRAB9ANPC1HTR1ASMN1; SMN2
SCHEMBL8035856 0.83 NAMPT (0.50) NAMPTRAB9ANPC1HTR1ASMN1; SMN2
SCHEMBL8035863 0.83 NAMPT (0.53) NAMPTRAB9ANPC1HTR1ASMN1; SMN2
SCHEMBL8044952 0.82 L3MBTL1 (0.47) KMT2ARAB9ANPC1HTR1ASMN1; SMN2
SCHEMBL8045257 0.82 NAMPT (0.55) NAMPTRAB9ANPC1HTR1ASMN1; SMN2

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 claimed
EP-0679649-B1 2,3-Dihydrobenzofuran Derivatives ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
EP-0679649-A1 2,3-DIHYDROBENZOFURAN DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-11-02 EP disclosed