SCHEMBL20669367

SCHEMBL20669367

CCC(CCN(CC#N)C(=O)OCc1ccccc1)NCCN(C)CCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
CTSL P07711 10/20 0.38
CTSS P25774 10/20 0.38
CTSB P07858 8/20 0.36
CTSK P43235 6/20 0.36

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
SCHEMBL20682466 0.88 CCR6 (0.46) CCR6PAX8CTSLCTSS
SCHEMBL23278174 0.81 CCR6 (0.43) CCR6PAX8
SCHEMBL20661504 0.80 CCR6 (0.52) CCR6PAX8CTSLCTSS
SCHEMBL20661526 0.80 CCR6 (0.45) CCR6PAX8CTSLCTSS
SCHEMBL20354506 0.78 CCR6 (0.45) CCR6PAX8
SCHEMBL20661525 0.76 F13A1 (0.39) CCR6PAX8
SCHEMBL20661527 0.76 CCR6 (0.47) CCR6PAX8CTSLCTSS
SCHEMBL20661494 0.71 F13A1 (0.38) CCR6PAX8CTSLCTSSCTSB
SCHEMBL20354507 0.70 CCR6 (0.46) CCR6PAX8
SCHEMBL11110649 0.66 ALDH1A1 (0.50) CTSLCTSSCTSBCTSK

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
US-10184052-B2 Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor FUJIFILM CORPORATION (JP) 2019-01-22 US disclosed