SCHEMBL23727841

SCHEMBL23727841

C[C@@H]1NC(=O)c2cc(Cl)c(C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ NOTUM Q6P988 4/20 0.34
▸ AR P10275 6/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ HTR2C P28335 4/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ KDR P35968 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2B P41595 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
SCHEMBL29835164 1.00 PDE3B (0.36) PDE3BPDE3ANOTUMARMKNK2
SCHEMBL23727325 1.00 PDE3B (0.36) PDE3BPDE3ANOTUMARMKNK2
SCHEMBL23745465 0.81 MKNK2 (0.38) MKNK2MKNK1HTR2CTSHRSMN1; SMN2
SCHEMBL23727834 0.81 MKNK2 (0.38) MKNK2MKNK1HTR2CTSHRSMN1; SMN2
SCHEMBL24728783 0.71 P2RX7 (0.36) PDE3BPDE3ANOTUMARHTR2C
SCHEMBL19117220 0.69 MKNK2 (0.36) ARMKNK2MKNK1DAO
SCHEMBL14992148 0.68 PPOX (0.46) MKNK2MKNK1HTR2CTSHRHTR2A
SCHEMBL14991575 0.68 MKNK2 (0.46) MKNK2MKNK1HTR2CHTR2AHTR2B
SCHEMBL23728136 0.67 PNMT (0.36) PDE3BPDE3ANOTUMHTR2CTSHR
SCHEMBL22519758 0.66 HTR2C (0.38) PDE3BPDE3ANOTUMARDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 — — EP disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
Send feedback