SCHEMBL16897355

SCHEMBL16897355

CN1C(N)CCCC1(C)N

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL27851811 0.69 — —
SCHEMBL27722457 0.66 CYP1A2 (0.30) —
Hydrochloric Acid SCHEMBL3269753 0.66 CYP1A2 (0.40) ALDH1A1
SCHEMBL28945327 0.62 — —
SCHEMBL7655937 0.62 — —
SCHEMBL7442843 0.62 MAPK1 (0.33) —
SCHEMBL28048129 0.61 — —
SCHEMBL16897218 0.61 — —
SCHEMBL7208598 0.60 — —
SCHEMBL11046590 0.60 ALDH1A1 (0.31) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015104278-A1 EPOXY RESIN SYSTEMS WITH PIPERIDINE DERIVATIVES AS CURING AGENTS BASF SE (DE) 2015-07-16 — — WO disclosed
Send feedback