SCHEMBL9724920

SCHEMBL9724920

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1cccc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.67
USP2 O75604 1/20 0.62
TSHR P16473 1/20 0.61
LMNA P02545 1/20 0.58
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
NPC1 O15118 3/20 0.56
NLRP3 Q96P20 1/20 0.56
MAPK1 P28482 1/20 0.56
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
IDO1 P14902 1/20 0.54
MAPT P10636 1/20 0.54
POLB P06746 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
SCHEMBL9724968 0.85 KMT2A (0.65) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL27877588 0.85 RAB9A (0.67) RAB9AUSP2TSHRLMNACRHBP
SCHEMBL21880164 0.85 RAB9A (0.67) RAB9AUSP2TSHRLMNACRHBP
SCHEMBL21880165 0.85 RAB9A (0.67) RAB9AUSP2TSHRLMNACRHBP
SCHEMBL30453904 0.85 RAB9A (0.67) RAB9AUSP2TSHRLMNACRHBP
SCHEMBL9724805 0.82 RAB9A (0.65) RAB9AUSP2TSHRLMNACRHBP
SCHEMBL9724808 0.82 MEN1 (0.53) RAB9ALMNANPC1MAPK1KMT2A
SCHEMBL9724967 0.81 MAPT (0.67) RAB9ATSHRLMNANPC1KMT2A
SCHEMBL9724970 0.81 MAPT (0.55) RAB9ALMNANPC1NLRP3MAPK1
SCHEMBL9724786 0.80 DDX3X (0.51) RAB9ALMNAKMT2AMEN1ALDH1A1

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed