SCHEMBL10691172

SCHEMBL10691172

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
MPO P05164 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
KMT2A Q03164 1/20 0.60
HIF1A Q16665 1/20 0.60
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56

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
SCHEMBL30736497 0.90 MAPT (0.69) MAPTKDM4EMEN1LMNAMPO
SCHEMBL901463 0.90 MAPT (0.69) MAPTKDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL9834221 0.89 MAPT (0.67) MAPTKDM4EMEN1LMNAMPO
SCHEMBL8689596 0.88 HDAC8 (0.63) MAPTKDM4EMEN1LMNAMPO
SCHEMBL8689774 0.88 MAPT (0.63) MAPTKDM4EMEN1LMNAMPO
SCHEMBL8689585 0.88 HDAC8 (0.63) MAPTKDM4EMEN1LMNAMPO
SCHEMBL8689768 0.88 MAPT (0.63) MAPTKDM4EMEN1LMNAMPO
SCHEMBL7613225 0.88 KMT2A (0.60) MAPTKDM4EMEN1LMNAMPO
SCHEMBL8689451 0.88 KDM4E (0.56) MAPTKDM4EMEN1LMNAMPO
SCHEMBL8816639 0.88 KDM4E (0.56) MAPTKDM4EMEN1LMNAMPO

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
US-4738803-A ENZYME INHIBITORS ROQUES BERNARD (FR) 1988-04-19 US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 US disclosed