SCHEMBL25848870

SCHEMBL25848870

Cc1ccc(C2CCN(CCOCc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.55
▸ LTA4H P09960 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SLC18A3 Q16572 2/20 0.52
▸ DRD2 P14416 1/20 0.51
▸ CARM1 Q86X55 1/20 0.48
▸ PRMT6 Q96LA8 1/20 0.48
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL23693482 0.86 SIGMAR1 (0.51) SIGMAR1LTA4HMEN1TP53CYP1A2
SCHEMBL15186974 0.80 ACHE (0.64) SIGMAR1LTA4HMEN1KMT2AHRH3
SCHEMBL11453030 0.79 POLB (0.67) SIGMAR1MEN1KMT2ADRD2
SCHEMBL81936 0.79 DRD2 (0.55) SLC18A3DRD2CARM1PRMT6HRH3
SCHEMBL13252503 0.78 LTA4H (0.58) SIGMAR1LTA4HHRH3
SCHEMBL19557301 0.78 LTA4H (0.75) SIGMAR1LTA4HMEN1TP53CYP1A2
SCHEMBL26981197 0.78 LTA4H (0.75) SIGMAR1LTA4HMEN1TP53CYP1A2
SCHEMBL31057462 0.77 LTA4H (0.61) SIGMAR1LTA4HMEN1KMT2AHRH3
SCHEMBL17284609 0.77 LTA4H (0.61) SIGMAR1LTA4HMEN1KMT2ACARM1
SCHEMBL22878318 0.77 LTA4H (0.61) SIGMAR1LTA4HMEN1KMT2ACARM1

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
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 — — EP disclosed
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