SCHEMBL24316223

SCHEMBL24316223

Cc1ccc2c(c1)NCCC2C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 4/20 0.39
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR2C P28335 4/20 0.33
ADRB1 P08588 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SRD5A1 P18405 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
SCHEMBL13656199 0.82 AR (0.42) ARALDH1A1GAAMAPTSLC6A2
SCHEMBL13683731 0.80 AR (0.41) ARGAASLC6A2SLC6A4HTR2C
SCHEMBL13920391 0.80 AR (0.43) ARALDH1A1HSD17B10
SCHEMBL18886131 0.77 AR (0.40) ARHTR2C
SCHEMBL13059131 0.77 AR (0.40) ARHTR2C
SCHEMBL24090522 0.77 AR (0.40) ARHTR2C
SCHEMBL15132859 0.76 ALDH1A1 (0.42) ALDH1A1GAAMAPTHSD17B10SLC6A2
SCHEMBL8402252 0.75 MMP12 (0.41) ALDH1A1SRD5A1
SCHEMBL27010602 0.73 AR (0.38) ARALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL14767424 0.72 ALDH1A1 (0.39) ALDH1A1GAAMAPTHSD17B10SLC6A2

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-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed