SCHEMBL9700400

SCHEMBL9700400

O=NN1c2cccc(Cl)c2OCC1CC1CNCCCN1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
NOTUM Q6P988 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL9701645 0.86 HTR2C (0.35) HTR2AHTR2CHTR2BHTR6
SCHEMBL9699316 0.85 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL9700406 0.76 ADRB1 (0.38) HTR2AHTR2CHTR2BNOTUMHTR6
SCHEMBL9700309 0.75 NOTUM (0.38) HTR2AHTR2CHTR2BNOTUMHTR6
SCHEMBL9700466 0.73 HTR2C (0.31) HTR2AHTR2CHTR2B
SCHEMBL9699297 0.73 NOTUM (0.38) NOTUM
SCHEMBL9699310 0.73 NOTUM (0.38) NOTUM
SCHEMBL9699339 0.72 NOTUM (0.39) NOTUM
SCHEMBL9699281 0.70 HTR2C (0.37) HTR2AHTR2CHTR2BHTR6
SCHEMBL9701449 0.68 DRD2 (0.41) HTR2AHTR2CNOTUMHTR6

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