SCHEMBL21801340

SCHEMBL21801340

CN1CCCC1CC(=O)NN

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.41
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRNA7 P36544 3/20 0.40
CHRNA5 P30532 2/20 0.40
CYP1A2 P05177 1/20 0.37

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
SCHEMBL18134700 1.00 POLB (0.44) POLBHTTMAPTCHRNB2CHRNA4
SCHEMBL18502527 0.95 MAPT (0.43) POLBHTTMAPTCHRNB2CHRNA4
SCHEMBL18502526 0.95 MAPT (0.43) POLBHTTMAPTCHRNB2CHRNA4
SCHEMBL10244794 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7CHRNA5CYP1A2
SCHEMBL15745587 0.83 POLB (0.49) POLBHTTMAPTCHRNB2CHRNA4
SCHEMBL26184790 0.81 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7CHRNA5CYP1A2
SCHEMBL1033553 0.79 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA5CYP1A2
SCHEMBL336170 0.79 CHRNB2 (0.45) POLBCHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL336171 0.79 CHRNB2 (0.45) POLBCHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL15745596 0.78 MAPT (0.49) POLBHTTMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279852-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2023-01-17 CN disclosed
CN-111635408-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-07-22 CN disclosed
EP-3849983-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-07-21 EP disclosed
WO-2020052631-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-03-19 WO disclosed