SCHEMBL22255225

SCHEMBL22255225

CNc1ccc(CN(CC2CC2)C2CCC(N)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.38
▸ SLC6A2 P23975 7/20 0.35
▸ SLC6A4 P31645 7/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.32
▸ RORC P51449 2/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ MC4R P32245 1/20 0.30
▸ MC5R P33032 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
Hydrochloric Acid SCHEMBL2697435 0.69 ALOX5 (0.32) —
SCHEMBL372241 0.69 YTHDC1 (0.51) SLC6A2SLC6A4SLC6A3MC4RMC5R
SCHEMBL372240 0.69 YTHDC1 (0.51) SLC6A2SLC6A4SLC6A3MC4RMC5R
SCHEMBL22254248 0.68 ROCK2 (0.37) LTA4H
SCHEMBL25532057 0.68 ROCK2 (0.37) LTA4H
SCHEMBL25531054 0.68 SIGMAR1 (0.42) LTA4HSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30335838 0.67 YTHDC1 (0.50) SLC6A2SLC6A4SLC6A3MC4RMC5R
SCHEMBL5993776 0.67 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL17362153 0.66 CARM1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL22255218 0.66 CNR2 (0.41) LTA4HSLC6A2SLC6A4SLC6A3

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-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO disclosed
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