SCHEMBL11501627

SCHEMBL11501627

NC(=NC(=O)Nc1ccc(Cl)cc1)NCCCCCCNC(N)=NC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.50
SLC6A3 Q01959 4/20 0.50
ALOX15 P16050 3/20 0.50
GBA1 P04062 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
MC4R P32245 2/20 0.50
RAD52 P43351 2/20 0.50
HTR3A P46098 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
SYNJ2 O15056 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
SLC22A3 O75751 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL11668325 1.00 CNR1 (0.50) CNR1SLC6A3ALOX15GBA1TP53
SCHEMBL11674067 1.00 CNR1 (0.50) CNR1SLC6A3ALOX15GBA1TP53
SCHEMBL11501930 0.87 TMEM97 (0.46) CNR1SLC6A3ALOX15GBA1TP53
SCHEMBL11668323 0.87 ALDH1A1 (0.50) CNR1SLC6A3HTR3AMEN1KMT2A
SCHEMBL11501942 0.86 TP53 (0.56) CNR1TP53CYP1A2CYP2D6CYP2C9
SCHEMBL11668293 0.85 FPR2 (0.48) MEN1KMT2AHDAC8
SCHEMBL11668524 0.85 HDAC1 (0.51) HTR3ALMNAHTTHTR3EHTR3B
SCHEMBL11668446 0.85 HTR3E (0.68) TP53CYP3A4HTR3ALMNACYP1A2
SCHEMBL11501786 0.82 LMNA (0.46) CNR1SLC6A3ALOX15GBA1TP53
SCHEMBL11501546 0.82 ALDH1A1 (0.62) CNR1SLC6A3ALOX15GBA1TP53

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
US-4022962-A DENTAL PLAQUE INHIBITORS COOPER LABORATORIES, INC. (US) 1977-05-10 US claimed
US-4163022-A ANTIPLAQUE AGENTS COOPER LABORATORIES, INC. (US) 1979-07-31 US disclosed
US-4115448-A Carbamylguanidine antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4115447-A Carbamylguanidine antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4022962-A DENTAL PLAQUE INHIBITORS COOPER LABORATORIES, INC. (US) 1977-05-10 US disclosed