SCHEMBL31067441

SCHEMBL31067441

Nc1cccc(C(NCC2CC2)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.43
SIGMAR1 Q99720 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
GRM7 Q14831 1/20 0.42
TACR1 P25103 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38

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
SCHEMBL17064410 1.00 KLKB1 (0.43) KLKB1SIGMAR1MTORRAB9AGRM7
SCHEMBL17064442 0.93 KLKB1 (0.44) KLKB1SIGMAR1TACR1
SCHEMBL31067595 0.93 KLKB1 (0.44) KLKB1SIGMAR1TACR1
SCHEMBL22417031 0.89 KLKB1 (0.46) KLKB1MAPT
SCHEMBL17073494 0.89 KLKB1 (0.43) KLKB1CYP3A4TDP1
SCHEMBL17064389 0.88 KLKB1 (0.44) KLKB1CYP3A4TSHRMEN1KMT2A
SCHEMBL31067579 0.88 KLKB1 (0.44) KLKB1CYP3A4TSHRMEN1KMT2A
SCHEMBL28260287 0.85 MTOR (0.56) SIGMAR1MTORRAB9AGRM7TACR1
SCHEMBL21507490 0.85 KLKB1 (0.45) KLKB1SIGMAR1TACR1
SCHEMBL23428922 0.84 TSHR (0.47) KLKB1TSHR

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-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed