SCHEMBL21661017

SCHEMBL21661017

CC(C)OCCN1CCCC(CC(C)OCCN2CCN(C)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.37
▸ SLC6A4 P31645 5/20 0.37
▸ SLC6A3 Q01959 5/20 0.37
▸ KDM1A O60341 1/20 0.33
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSH P09668 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL20656041 0.88 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL22890900 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KDM1ACTSL
SCHEMBL27055532 0.79 BCHE (0.39) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL15316722 0.76 CHKA (0.40) KDM1A
SCHEMBL10192139 0.76 KDM1A (0.39) KDM1A
SCHEMBL24925644 0.76 HTR1A (0.43) KDM1A
SCHEMBL25804761 0.74 HRH3 (0.36) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL20656066 0.73 HRH3 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL24461609 0.72 KDM1A (0.39) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL27051363 0.72 KDM1A (0.39) SLC6A2SLC6A4SLC6A3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024100139-A1 USE OF IFN-I ACTIVITY AS A BIOMARKER FOR TLR INHIBITOR TREATMENT MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 — — WO disclosed
Send feedback