SCHEMBL8639939

SCHEMBL8639939

O=C(NCCOc1ccccc1)C1(Cc2ccc(F)cc2)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
HPGD P15428 1/20 0.43
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL8641791 0.88 KMT2A (0.50) MTNR1AMTNR1BSMN1; SMN2LMNANPSR1
SCHEMBL2173199 0.81 ATM (0.52) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL8641832 0.79 P2RX7 (0.43) MTNR1AMTNR1BSMN1; SMN2LMNARAB9A
SCHEMBL8644340 0.77 MTNR1A (0.41) MTNR1AMTNR1BSMN1; SMN2RAB9ANPC1
SCHEMBL8641785 0.77 MTNR1A (0.39) MTNR1AMTNR1BSMN1; SMN2LMNARAB9A
SCHEMBL31682182 0.74 SSTR4 (0.39)
SCHEMBL2172656 0.74 ATM (0.57) SMN1; SMN2HPGDMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL5807511 0.74 SLC6A2 (0.42)
SCHEMBL14491546 0.74 SMN1; SMN2 (0.55) MTNR1AMTNR1BSMN1; SMN2LMNANPSR1
SCHEMBL5810393 0.73 OPRM1 (0.40) SMN1; SMN2LMNAMAPK1NPSR1RAB9A

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed