SCHEMBL8668716

SCHEMBL8668716

NCC(=O)N1C(C(=O)O)CC(C(=O)N2CCOCC2)C1c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ ADAM10 O14672 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35

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
SCHEMBL8666222 0.81 SIGMAR1 (0.40) FKBP1AKDM1AADAM10ERBB2MMP2
SCHEMBL8668993 0.78 TSHR (0.44) ALDH1A1SMN1; SMN2USP2HPGDHSD17B10
SCHEMBL8667689 0.78 GPR88 (0.35) KDM4EALDH1A1USP2MEN1KMT2A
SCHEMBL8669414 0.77 SIGMAR1 (0.43) —
SCHEMBL8672106 0.75 LMNA (0.37) ALDH1A1MEN1KMT2AMAPT
SCHEMBL8670326 0.73 AGTR2 (0.34) KDM4EKDM1AALDH1A1NPC1RAB9A
SCHEMBL8666883 0.73 AGTR2 (0.34) KDM4EKDM1AALDH1A1NPC1RAB9A
SCHEMBL8672929 0.71 KMT2A (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL8666332 0.70 ACE (0.54) ALDH1A1MEN1KMT2A
SCHEMBL8671381 0.70 EPHX2 (0.34) KDM4EKDM1AALDH1A1MEN1KMT2A

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
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 — — US disclosed
Send feedback