SCHEMBL7996489

SCHEMBL7996489

CC(N)CN(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTGES O14684 1/20 0.46
TSHR P16473 2/20 0.45

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
Trifluoroacetic Acid SCHEMBL20974410 0.91 CYP2C19 (0.45) LMNAMEN1KMT2ASLC6A2TAAR1
Trifluoroacetic Acid SCHEMBL20974224 0.91 CYP2C19 (0.45) LMNAMEN1KMT2ASLC6A2TAAR1
Trifluoroacetic Acid SCHEMBL20974226 0.91 CYP2C19 (0.45) LMNAMEN1KMT2ASLC6A2TAAR1
SCHEMBL6998369 0.84 LMNA (0.53) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL9767585 0.83 GPR88 (0.51) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL25095963 0.83 LMNA (0.43) LMNAMEN1KMT2AKDM4ESLC6A2
SCHEMBL203277 0.83 MEN1 (0.50) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL15311486 0.82 HDAC3 (0.51) LMNAALDH1A1PTGES
SCHEMBL15311485 0.82 HDAC3 (0.51) LMNAALDH1A1PTGES
Hydrochloric Acid SCHEMBL30217600 0.82 LMNA (0.42) LMNAMEN1KMT2AKDM4ESLC6A2

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
WO-2001046152-A1 HERBICIDAL DIACYL DERIVATIVES OF PROPYLENE DIAMINE MONSANTO TECHNOLOGY LLC (US) 2001-06-28 WO disclosed