SCHEMBL30748650

SCHEMBL30748650

Nc1ccc2cccc(N3CCC(F)(F)CC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.42
PLAU P00749 2/20 0.42
BACE1 P56817 1/20 0.42
MCHR1 Q99705 11/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
FFAR2 O15552 1/20 0.37

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
SCHEMBL30748569 0.82 POLB (0.47) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL31373455 0.81 ADRB2 (0.39) PLAUMCHR1NOS3NOS1FFAR2
SCHEMBL30600597 0.79 HTR2A (0.63) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL30788618 0.73 GRIN2D (0.50) NOS3
SCHEMBL17609530 0.73 GRIN2D (0.50) NOS3
SCHEMBL23123094 0.73 KEAP1 (0.44) SLC6A4FFAR2
SCHEMBL22969399 0.71 HTR3A (0.42) MCHR1
SCHEMBL5092004 0.71 KEAP1 (0.60) SLC6A4DRD2FFAR2
SCHEMBL31373596 0.70 ADRB2 (0.33) BACE1MCHR1NOS3NOS1FFAR2
SCHEMBL22964660 0.70 KEAP1 (0.42) SLC6A4FFAR2

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
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed