SCHEMBL6010129

SCHEMBL6010129

CNC1(C(=O)NCc2ccccc2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.47
TACR1 P25103 1/20 0.47
HPGD P15428 1/20 0.47
MC4R P32245 1/20 0.47
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP8 P22894 1/20 0.45
PTPN1 P18031 1/20 0.44
METAP2 P50579 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
MAPT P10636 1/20 0.42
SLC6A4 P31645 1/20 0.42
EPHX1 P07099 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL11114794 0.86 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AATMTACR1HPGD
SCHEMBL4781784 0.84 ATM (0.47) SMN1; SMN2KMT2AATMTACR1HPGD
SCHEMBL21077981 0.82 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AATMTACR1HPGD
SCHEMBL6017363 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AATMTACR1HPGD
SCHEMBL3816356 0.81 MC4R (0.50) SMN1; SMN2KMT2AATMTACR1HPGD
SCHEMBL5695520 0.80 OPRM1 (0.49) SMN1; SMN2KMT2AATMTACR1HPGD
SCHEMBL6621636 0.79 ATM (0.49) SMN1; SMN2KMT2AATMTACR1HPGD
SCHEMBL6026586 0.79 RAB9A (0.51) SMN1; SMN2KMT2AKDM4EATMTACR1
SCHEMBL16876727 0.79 L3MBTL1 (0.49) KMT2AATMTACR1HPGDMC4R
SCHEMBL6859676 0.79 MEN1 (0.47) KMT2AKDM4EATMTACR1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720874-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES Bioaxone Therapeutique Inc. (CA) 2006-11-15 EP disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005080394-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES BIOAXONE THERAPEUTIQUE INC. (CA) 2005-09-01 WO disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
EP-0121972-A2 N-aryl-alpha-amino-carboxamides JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-17 EP disclosed