SCHEMBL31316092

SCHEMBL31316092

[N-]=[N+]=Nc1cc(N2CCC(F)(F)CC2)c2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.47
HTR1A P08908 10/20 0.39
SLC6A4 P31645 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
GRM4 Q14833 1/20 0.36
ADRB2 P07550 1/20 0.34
FFAR2 O15552 1/20 0.34

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
SCHEMBL26646365 1.00 PDE4A (0.47) PDE4AHTR1ASLC6A4HTR2AHTR2C
SCHEMBL26646337 0.79 HTR1A (0.52) HTR1ASLC6A4HTR2AHTR2CGRM4
SCHEMBL31316087 0.79 HTR1A (0.52) HTR1ASLC6A4HTR2AHTR2CGRM4
SCHEMBL31316098 0.79 SLC6A4 (0.43) HTR1ASLC6A4HTR2AHTR2CGRM4
SCHEMBL26646217 0.79 SLC6A4 (0.43) HTR1ASLC6A4HTR2AHTR2CGRM4
SCHEMBL26646074 0.77 SLC6A4 (0.41) HTR1ASLC6A4HTR2AHTR2CGRM4
SCHEMBL31316021 0.77 SLC6A4 (0.41) HTR1ASLC6A4HTR2AHTR2CGRM4
SCHEMBL30600597 0.76 HTR2A (0.63) HTR1ASLC6A4HTR2AHTR2CFFAR2
SCHEMBL31373456 0.75 KCNH2 (0.50) PDE4AHTR1ASLC6A4HTR2AHTR2C
SCHEMBL26650637 0.75 KCNH2 (0.50) PDE4AHTR1ASLC6A4HTR2AHTR2C

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-119156382-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-12-17 CN disclosed