SCHEMBL31066655

SCHEMBL31066655

N#CC1(NC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.39
PARG Q86W56 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
GRM7 Q14831 1/20 0.38
CTSS P25774 3/20 0.37
CTSK P43235 3/20 0.37
CTSB P07858 2/20 0.37
TSHR P16473 2/20 0.36
TRPA1 O75762 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10537367 0.69 CYP1A2 (0.60) CTSLPARGCTSSCTSKCTSB
SCHEMBL28370128 0.67 TSHR (0.47) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL31066736 0.67 MTOR (0.43) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL9260996 0.66 PLK1 (0.35) CTSLGRM7CTSSCTSKCTSB
SCHEMBL8557856 0.66 PLK1 (0.35) CTSLGRM7CTSSCTSKCTSB
SCHEMBL4837814 0.66 NPSR1 (0.44) TSHRCYP3A4ALOX15
SCHEMBL15461527 0.66 TRPA1 (0.40) CTSLTRPA1ALOX15
SCHEMBL3449112 0.66 MTOR (0.46) MTORRAB9AGRM7TSHRTRPA1
SCHEMBL28370198 0.65 LMNA (0.42) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL11522519 0.63 LMNA (0.37) MTORRAB9AGRM7TSHRTRPA1

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
CN-113614095-B Alkylboronic acids as arginase inhibitors 广东新契生物医药科技有限公司 2024-08-23 CN disclosed