SCHEMBL11114794

SCHEMBL11114794

CCNC1(C(=O)NCc2ccccc2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.46
TACR1 P25103 1/20 0.46
HPGD P15428 2/20 0.45
MC4R P32245 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR2 O60603 2/20 0.43
MMP8 P22894 1/20 0.43
PTPN1 P18031 1/20 0.43
METAP2 P50579 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RIPK1 Q13546 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
PPID Q08752 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
SCHEMBL6010129 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ATMTACR1HPGDMC4R
SCHEMBL4781784 0.82 ATM (0.47) SMN1; SMN2ATMTACR1HPGDMC4R
SCHEMBL21077981 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ATMTACR1HPGDMC4R
SCHEMBL6017363 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ATMTACR1HPGDMEN1
SCHEMBL3816356 0.79 MC4R (0.50) SMN1; SMN2ATMTACR1HPGDMC4R
SCHEMBL5695520 0.78 OPRM1 (0.49) SMN1; SMN2ATMTACR1HPGDMC4R
SCHEMBL6621636 0.77 ATM (0.49) SMN1; SMN2ATMTACR1HPGDMC4R
SCHEMBL6026586 0.77 RAB9A (0.51) SMN1; SMN2ATMTACR1HPGDMEN1
SCHEMBL16876727 0.77 L3MBTL1 (0.49) ATMTACR1HPGDMC4RMEN1
SCHEMBL6859676 0.77 MEN1 (0.47) ATMTACR1MEN1KMT2AMETAP2

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
EP-0121972-A2 N-aryl-alpha-amino-carboxamides JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-17 EP disclosed