SCHEMBL7930173

SCHEMBL7930173

O=C1CC2CCC1CN2CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
OPRM1 P35372 8/20 0.44
OPRD1 P41143 7/20 0.44
HTR2A P28223 1/20 0.43
CHRNA7 P36544 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL11674175 0.85 SIGMAR1 (0.45) HPGD
Hydrochloric Acid SCHEMBL11676386 0.84 SIGMAR1 (0.44) HPGD
SCHEMBL14458597 0.73 HRH3 (0.50) HRH3OPRM1OPRD1CHRNA7GAA
SCHEMBL5622289 0.73 HRH3 (0.50) HRH3OPRM1OPRD1CHRNA7GAA
SCHEMBL5621012 0.73 HRH3 (0.50) HRH3OPRM1OPRD1CHRNA7GAA
SCHEMBL2847795 0.70 KMT2A (0.36) GAA
SCHEMBL8541761 0.70 HRH3 (0.73) HRH3OPRM1OPRD1CHRNA7
SCHEMBL6312115 0.70 HRH3 (0.73) HRH3OPRM1OPRD1CHRNA7
SCHEMBL18831804 0.69 SIGMAR1 (0.54) HRH3OPRM1OPRD1GAA
SCHEMBL13679488 0.67 FUCA1 (0.46) HPGD

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-6248752-B1 Azabicyclooctane compositions and methods for enhancing chemotherapy SMITH CHARLES DUANE (US) 2001-06-19 US claimed
US-6248752-B1 Azabicyclooctane compositions and methods for enhancing chemotherapy SMITH CHARLES DUANE (US) 2001-06-19 US disclosed