SCHEMBL8341024

SCHEMBL8341024

O=C1NC(=O)C2NCC=NC2N1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
BACE1 P56817 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
SCHEMBL173427 0.72 BACE1 (0.36) TDP1TSHRBACE1
SCHEMBL9026830 0.67 TSHR (0.39) TSHR
SCHEMBL14354358 0.63 TSHR (0.52) TDP1TSHRBACE1
SCHEMBL7539674 0.59 TSHR (0.42) TDP1TSHRBACE1
SCHEMBL4205347 0.59 BACE1 (0.38) TDP1TSHRBACE1
SCHEMBL9808571 0.58 TDP1 (0.41) TDP1TSHRBACE1
SCHEMBL16695749 0.57 TSHR (0.36) TSHRBACE1
SCHEMBL6661321 0.57 BACE1 (0.36) TDP1TSHRBACE1
SCHEMBL30231638 0.56 TSHR (0.39) TDP1TSHRBACE1
SCHEMBL9402140 0.56 MAPT (0.41) TDP1TSHRBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919778-A Cyclic amide derivatives EISAI CO., LTD. (JP) 1999-07-06 US disclosed
US-5654308-A PREVENT OR TREAT DISEASE DUE TO INSUFFICIENT CHOLINE FUNCTION EISAI CO., LTD. (JP) 1997-08-05 US disclosed
US-5620976-A PREVENTION AND TREATMENT OF DISEASES DUE TO INSUFFICIENCY OF THE CENTRAL CHOLINE FUNCTIONS EISAI CO., LTD. (JP) 1997-04-15 US disclosed
EP-0742216-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1996-11-13 EP disclosed
US-5521182-A ACETYLCHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 1996-05-28 US disclosed
US-5504088-A ACETYLCHOLINE ESTERASE INHIBITORS; ALZHEIMER'S DISEASE AND OTHER DISEASES CAUSED BY A LOW CONCENTRATION OF CHOLINE EISAI CO., LTD. (JP) 1996-04-02 US disclosed
EP-0677516-A1 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1995-10-18 EP disclosed
US-5292735-A Cyclic amide derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
EP-0468187-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1992-01-29 EP disclosed