SCHEMBL9763380

SCHEMBL9763380

BrCCCCCCOCCCc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
KDM4E B2RXH2 2/20 0.44
AOC3 Q16853 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 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
SCHEMBL9763698 0.86 HRH3 (0.58) HRH3TSHRSIGMAR1DRD2HTR2A
SCHEMBL27661537 0.83 HRH3 (0.65) HRH3SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL27640973 0.82 HRH3 (0.67) HRH3SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL10488261 0.81 GSK3B (0.46) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL9764494 0.78 GSK3B (0.46) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL16702209 0.77 HRH3 (0.68) HRH3SMN1; SMN2TSHRSIGMAR1HTR2A
Hydrochloric Acid SCHEMBL16702258 0.76 HRH3 (0.67) HRH3SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9762919 0.76 HRH3 (0.46) HRH3SIGMAR1HTR2CCHRM2ADRA2C
SCHEMBL10463990 0.75 HRH3 (0.48) HRH3HPGDSIGMAR1HTR2CCHRM2
SCHEMBL10465456 0.74 HRH3 (0.47) HRH3SIGMAR1HTR2CCHRM2ADRA2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed