SCHEMBL31482897

SCHEMBL31482897

O=C(c1cnc2[nH]cc(Cl)c2c1)N1CCC(F)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
LRRK2 Q5S007 1/20 0.47
VNN1 O95497 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.41
NTRK1 P04629 1/20 0.40
BTK Q06187 3/20 0.39
ITK Q08881 3/20 0.39
JAK1 P23458 2/20 0.39
METAP2 P50579 2/20 0.39
MAP3K11 Q16584 1/20 0.39
GRM5 P41594 1/20 0.38
PAK1 Q13153 1/20 0.38
HSD11B1 P28845 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
SCHEMBL23675231 1.00 ACACB (0.48) ACACBACACALRRK2VNN1MEN1
SCHEMBL23680895 0.79 HTR1A (0.48) ACACBACACALRRK2HPGDHSD11B1
SCHEMBL23680834 0.77 CNR2 (0.41) HPGDBTKPAK1
SCHEMBL23675147 0.76 PLK4 (0.56) LRRK2VNN1HPGDJAK1
SCHEMBL24329725 0.76 LRRK2 (0.43) LRRK2HPGDHSD11B1
SCHEMBL29564788 0.75 AXL (0.45) ACACBACACABTKITK
SCHEMBL2671287 0.75 AXL (0.45) ACACBACACABTKITK
SCHEMBL17786923 0.74 ITK (0.45) ACACBACACALRRK2NTRK1BTK
SCHEMBL24758082 0.73 NTRK1 (0.48) ACACBACACALRRK2VNN1KMT2A
SCHEMBL23680844 0.72 MGLL (0.57) JAK1

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-115335043-B PGDH inhibitors and methods of making and using the same 迈欧伏特治疗公司 2025-03-28 CN disclosed