SCHEMBL27887016

SCHEMBL27887016

CN1CCCC1c1ccc(N2CCCCC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.52
▸ CHRNB2 P17787 3/20 0.52
▸ CHRNA4 P43681 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CHRNB4 P30926 2/20 0.52
▸ CHRNA3 P32297 2/20 0.52
▸ CHRNA2 Q15822 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HTR3E A5X5Y0 1/20 0.52
▸ PSIP1 O75475 1/20 0.52
▸ TRPA1 O75762 1/20 0.52
▸ HTR3B O95264 1/20 0.52
▸ CHRNA1 P02708 1/20 0.52
▸ CHRNG P07510 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CHRNB1 P11230 1/20 0.52
▸ CYP2A6 P11509 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ CHRNA5 P30532 1/20 0.52

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
SCHEMBL27903892 0.87 ALDH1A1 (0.49) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL13017611 0.87 ALDH1A1 (0.49) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL30618802 0.80 ALDH1A1 (0.64) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL29766108 0.80 ALDH1A1 (0.64) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL5249340 0.78 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL30866542 0.78 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL157172 0.78 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL29173751 0.78 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL11380454 0.78 ALDH1A1 (0.48) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL12240393 0.78 CHRNA7 (0.50) CHRNA7ALDH1A1LMNATDP1MAPT

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
CN-104710385-B PDE10 inhibitor and compositions related and method 奥默罗斯公司 2018-11-09 — — CN disclosed
CN-107445919-A PDE10 inhibitor and compositions related and method 奥默罗斯公司 2017-12-08 — — CN disclosed
CN-102869355-B Pde10 inhibitors and related compositions and methods OMEROS CORP 2015-07-08 — — CN disclosed
CN-104710385-A PDE10 inhibitors and related compositions and methods OMEROS CORP 2015-06-17 — — CN disclosed
CN-102869355-A Pde10 inhibitors and related compositions and methods OMEROS CORP 2013-01-09 — — CN disclosed
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