SCHEMBL9820675

SCHEMBL9820675

CC(Cc1ccccc1)CN1CC[CH]CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.55
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1B P35368 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
SLC6A4 P31645 5/20 0.51
SLC6A3 Q01959 5/20 0.51
SLC6A2 P23975 5/20 0.42
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 4/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL359213 0.86 GRIN2D (0.57) ADRA1AGRIN2DGRIN3BADRA1DADRA1B
SCHEMBL358258 0.86 GRIN2D (0.57) ADRA1AGRIN2DGRIN3BADRA1DADRA1B
SCHEMBL11159052 0.84 GRIN2D (0.56) ADRA1AGRIN2DGRIN3BADRA1DADRA1B
SCHEMBL11166093 0.81 SIGMAR1 (0.56) ADRA1AGRIN2DGRIN3BADRA1DADRA1B
SCHEMBL7510260 0.81 ADRA1A (0.53) ADRA1AGRIN2DGRIN3BADRA1DADRA1B
SCHEMBL8488319 0.81 GRIN2D (0.53) ADRA1AGRIN2DGRIN3BADRA1DADRA1B
Hydrochloric Acid SCHEMBL10901527 0.80 SIGMAR1 (0.54) ADRA1AGRIN2DGRIN3BADRA1DADRA1B
SCHEMBL11459450 0.79 LTA4H (0.61) ADRA1AGRIN2DGRIN3BADRA1DADRA1B
SCHEMBL8597686 0.78 GRIN2D (0.85) ADRA1AGRIN2DGRIN3BADRA1DADRA1B
SCHEMBL3637933 0.76 KDM4E (0.39) ADRA1AGRIN2DGRIN3BADRA1DADRA1B

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
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed