SCHEMBL9700466

SCHEMBL9700466

Clc1cccc2c1OCC(CC1CNCCCN1)N2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
EED O75530 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
SCHEMBL9701640 0.83 CHRNB4 (0.38) HTR2CHTR2AHTR2BEED
SCHEMBL9699316 0.75 HTR2A (0.33) HTR2CHTR2AHTR2B
SCHEMBL27642723 0.74 CREBBP (0.39) HTR2CHTR2A
SCHEMBL9700535 0.74 HTR2C (0.38) HTR2CHTR2AHTR2B
SCHEMBL9700400 0.73 HTR2A (0.34) HTR2CHTR2AHTR2B
SCHEMBL9700468 0.73 GAA (0.44) HTR2CHTR2B
SCHEMBL9700527 0.71 GAA (0.50) HTR2C
SCHEMBL9699375 0.71 GAA (0.50) HTR2C
SCHEMBL9700191 0.70 HTR5A (0.36) HTR2CHTR2A
SCHEMBL11854527 0.66 HTR5A (0.43) HTR2CHTR2A

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