SCHEMBL30747644

SCHEMBL30747644

NC(=O)N1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
KDM4E B2RXH2 4/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
FAAH O00519 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
KMT2A Q03164 5/20 0.60
GPR183 P32249 1/20 0.58
MEN1 O00255 4/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.55
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL3093924 0.87 FAAH (0.70) ALDH1A1KDM4ECYP2D6CYP2C9ALOX15
SCHEMBL16226986 0.84 ALDH1A1 (0.82) ALDH1A1KDM4ECYP2D6CYP2C9ALOX15
SCHEMBL30747663 0.82 FAAH (0.67) ALDH1A1KDM4EFAAHKMT2AMEN1
SCHEMBL19457236 0.81 KDM4E (0.65) ALDH1A1KDM4ECYP2D6CYP2C9ALOX15
SCHEMBL7142559 0.81 CYP2D6 (0.69) ALDH1A1KDM4ECYP2D6CYP2C9ALOX15
SCHEMBL3222136 0.81 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRFAAHSMN1; SMN2
SCHEMBL5360590 0.80 SIGMAR1 (0.60) ALDH1A1KDM4ECYP2D6CYP2C9ALOX15
SCHEMBL4772341 0.79 FAAH (0.61) ALDH1A1KDM4ECYP2D6CYP2C9ALOX15
SCHEMBL16225922 0.79 ALDH1A1 (0.74) ALDH1A1FAAHSMN1; SMN2KMT2AMEN1
SCHEMBL8377657 0.79 CYP2D6 (0.65) ALDH1A1KDM4ECYP2D6CYP2C9ALOX15

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
EP-4554569-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS Oxford Antibiotic Group GmbH (AT) 2025-05-21 EP claimed
CN-119866217-A Agent for restoring metal steady state containing malonic acid or derivative thereof 牛津抗生素(制药)集团股份有限公司 2025-04-22 CN claimed
WO-2024013400-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS OXFORD ANTIBIOTIC GROUP GMBH (AT) 2024-01-18 WO claimed
EP-4554569-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS Oxford Antibiotic Group GmbH (AT) 2025-05-21 EP disclosed
CN-119866217-A Agent for restoring metal steady state containing malonic acid or derivative thereof 牛津抗生素(制药)集团股份有限公司 2025-04-22 CN disclosed
WO-2024013400-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS OXFORD ANTIBIOTIC GROUP GMBH (AT) 2024-01-18 WO disclosed