SCHEMBL9699287

SCHEMBL9699287

COc1cccc2c1OCC(CN1CCCNCC1)N2N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.40
ADRA1A P35348 6/20 0.39
HTR1A P08908 3/20 0.39
ADRA1B P35368 3/20 0.39
ADRA1D P25100 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
DRD2 P14416 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTR2B P41595 2/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL9701613 0.90 ADRA2A (0.41) ADRA1AHTR1AADRA1BADRA1DDRD2
SCHEMBL9700351 0.90 ADRA2A (0.41) ADRA1AHTR1AADRA1BADRA1DDRD2
SCHEMBL9701648 0.85 LMNA (0.41) HTR7ADRA1AHTR1AADRA1BADRA1D
SCHEMBL9699323 0.84 CXCR4 (0.36) ADRB1DRD2DRD3HTR6SIGMAR1
SCHEMBL9699337 0.84 ADRA2A (0.42) ADRA1AHTR1AADRA1BADRA1DDRD2
SCHEMBL9728617 0.83 ADRA1A (0.41) HTR7ADRA1AHTR1AADRA1BADRA1D
SCHEMBL9700158 0.77 HTR2A (0.38) HTR7ADRA1AHTR1AADRA1BADRA1D
SCHEMBL10378979 0.77 ADRA1A (0.38) ADRA1AHTR1AADRA1BADRA1DADRA2A
SCHEMBL9701643 0.77 GAA (0.42) HTR7ADRA1AHTR1AADRA1BADRA1D
SCHEMBL9699281 0.76 HTR2C (0.37) HTR7HTR3AHTR3EHTR3BADRB1

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