SCHEMBL23655985

SCHEMBL23655985

Cc1ccc(C2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.47
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.46
DRD2 P14416 1/20 0.45
NPY1R P25929 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
CHRNB2 P17787 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL8363020 0.93 LMNA (0.49) SLC18A3SMN1; SMN2HSD17B10HPGDMAPT
SCHEMBL7446491 0.87 MBTD1 (0.55) SLC18A3MBTD1L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL10035921 0.83 MAPT (0.49) SLC18A3L3MBTL1SMN1; SMN2HSD17B10NPC1
SCHEMBL16763481 0.82 SLC18A3 (0.47) SLC18A3MBTD1L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL17481525 0.81 TRPV6 (0.54) SMN1; SMN2NPC1RAB9AMAPTDRD2
SCHEMBL16447503 0.80 SLC18A3 (0.43) SLC18A3L3MBTL1NPC1RAB9AMAPT
SCHEMBL17876411 0.79 KDM4E (0.49) SLC18A3TP53ADRB1ALDH1A1
SCHEMBL6678742 0.79 SLC18A3 (0.42) SLC18A3L3MBTL1NPC1RAB9AMAPT
SCHEMBL171804 0.78 MAPT (0.62) SMN1; SMN2HSD17B10NPC1RAB9AMAPT
SCHEMBL20346979 0.78 MEN1 (0.45) SLC18A3MBTD1L3MBTL3L3MBTL1TP53

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-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed