SCHEMBL5752267

SCHEMBL5752267

N#CC(c1ccccc1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
OPRL1 P41146 1/20 0.56
SLC6A4 P31645 7/20 0.51
SLC6A2 P23975 6/20 0.51
ALDH1A1 P00352 3/20 0.47
ACHE P22303 1/20 0.47
HSD11B1 P28845 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL11612810 0.94 OPRD1 (0.54) OPRD1MEN1KMT2AOPRL1SLC6A4
SCHEMBL11813176 0.87 OPRL1 (0.65) OPRL1ALDH1A1ACHEHSD11B1SMN1; SMN2
SCHEMBL3609859 0.83 ALDH1A1 (0.66) OPRL1ALDH1A1ACHEHSD11B1SMN1; SMN2
SCHEMBL9852931 0.83 SLC6A4 (0.46) OPRD1MEN1KMT2AOPRL1SLC6A4
SCHEMBL11609010 0.83 ALDH1A1 (0.67) OPRD1MEN1KMT2AOPRL1ALDH1A1
SCHEMBL2342237 0.82 MEN1 (0.59) OPRD1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL11809431 0.82 MEN1 (0.59) OPRD1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL519228 0.81 ALDH1A1 (0.69) OPRL1ALDH1A1ACHEHSD11B1SMN1; SMN2
SCHEMBL8996232 0.81 KCNA5 (0.53)
SCHEMBL11611128 0.80 ALDH1A1 (0.68) OPRD1ALDH1A1ACHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4068070-A ANGINA PECTORIS FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1978-01-10 US claimed
US-3948899-A CEREBRAL AND CORONARY CIRCULATION FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-04-06 US claimed
CN-109206378-A A kind of diclazuril haptens, artificial antigen and the preparation method and application thereof 北京维德维康生物技术有限公司 2019-01-15 CN disclosed
EP-1099692-B1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2006-05-03 EP disclosed
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO disclosed
US-4068070-A ANGINA PECTORIS FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1978-01-10 US disclosed
US-4068070-A ANGINA PECTORIS FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1978-01-10 US disclosed
US-3962247-A ANGINA PECTORIS FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-06-08 US disclosed
US-3962247-A ANGINA PECTORIS FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-06-08 US disclosed
US-3948899-A CEREBRAL AND CORONARY CIRCULATION FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-04-06 US disclosed
US-3948899-A CEREBRAL AND CORONARY CIRCULATION FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-04-06 US disclosed
US-3948899-A CEREBRAL AND CORONARY CIRCULATION FUJI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-04-06 US disclosed