SCHEMBL9700282

SCHEMBL9700282

COc1cc2c3c(c1)cc(C)n3C(CN1CCN(C)CC1)CO2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
BDKRB1 P46663 1/20 0.33
MTNR1A P48039 1/20 0.32
HTR7 P34969 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9700053 0.91 CNR1 (0.34) HRH3CNR1CNR2KMT2AMEN1
SCHEMBL9701569 0.91 CNR1 (0.34) HRH3CNR1CNR2KMT2AMEN1
SCHEMBL9701693 0.88 ALDH1A1 (0.35) CNR1CNR2KMT2AMEN1CYP3A4
SCHEMBL9699311 0.84 ADRB1 (0.32) CNR1CNR2KMT2AMEN1CYP3A4
SCHEMBL9701612 0.84 HRH3 (0.39) HRH3CNR1CNR2KMT2AMEN1
SCHEMBL9701634 0.82 DRD2 (0.30)
SCHEMBL9701537 0.74 HRH3 (0.34) HRH3CNR1CNR2KMT2AMEN1
SCHEMBL9699289 0.74 CNR1 (0.33) HRH3CNR1CNR2KMT2AMEN1
SCHEMBL9700352 0.73 CNR1 (0.52) CNR1CNR2KMT2AMEN1CYP3A4
SCHEMBL9699362 0.73 CNR1 (0.39) HRH3CNR1CNR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US disclosed