SCHEMBL29447983

SCHEMBL29447983

O=CCc1c(F)ccc(Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
HTT P42858 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
MET P08581 1/20 0.32
GAA P10253 1/20 0.32
CD38 P28907 1/20 0.32
CNR1 P21554 1/20 0.31
LMNA P02545 1/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2A13 Q16696 1/20 0.30
KLKB1 P03952 1/20 0.30

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
SCHEMBL12825475 1.00 MPO (0.35) MPOHTTTAAR1MEN1ALDH1A1
SCHEMBL4434490 0.83 CTSL (0.36)
SCHEMBL29952440 0.83 CTSL (0.36)
SCHEMBL21811824 0.81 ERN1 (0.36) HTTTAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL29457672 0.81 TAAR1 (0.32) TAAR1SMN1; SMN2GAACNR1
SCHEMBL22031845 0.81 TAAR1 (0.32) TAAR1SMN1; SMN2GAACNR1
SCHEMBL21356079 0.81
SCHEMBL2565440 0.80 TAAR1 (0.33) HTTTAAR1MEN1ALDH1A1KMT2A
SCHEMBL5805580 0.79 P2RX7 (0.35) TAAR1MET
SCHEMBL16465290 0.76

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174263-B Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2025-01-10 CN disclosed
CN-116120240-A FXIa inhibitor compound, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-05-16 CN disclosed
CN-114206854-B FXIa inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-02-24 CN disclosed
CN-114206854-A FXIa inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-03-18 CN disclosed
EP-3966199-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2022-03-16 EP disclosed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN disclosed