SCHEMBL9764397

SCHEMBL9764397

O=C(c1ccc(C#CCOCCCCCCNCc2ccccc2)cc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
HPGD P15428 2/20 0.42
GRM5 P41594 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK10 P53779 1/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.40
TSHR P16473 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL9764480 0.79 MMP2 (0.43) ACACBGAAALDH1A1LMNAMAPK1
SCHEMBL9763710 0.78 SIGMAR1 (0.43) HRH3SMN1; SMN2RAB9A
SCHEMBL9763136 0.74 DRD4 (0.47) SMN1; SMN2GAALMNAMAPK1RAB9A
SCHEMBL9764569 0.73 SNCA (0.38) ACACBHPGDGRM5HRH3GAA
SCHEMBL9764451 0.73 SMN1; SMN2 (0.45) SMN1; SMN2GAAALDH1A1LMNAMAPK1
SCHEMBL9763494 0.72 DRD2 (0.47) HPGDSMN1; SMN2RAB9A
SCHEMBL3644126 0.71 GRM5 (0.71) ACACBHPGDGRM5SMN1; SMN2GAA
SCHEMBL9764455 0.71 MAOA (0.40) GAAMAPK1
SCHEMBL9764499 0.71 KDM4E (0.45) GAAALDH1A1MAPK1
SCHEMBL20183883 0.69 HPGD (0.59) ACACBHPGDGRM5HRH3SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed