SCHEMBL8315514

SCHEMBL8315514

Fc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 9/20 0.69
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM1A O60341 3/20 0.56
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL26620815 0.91 SSTR3 (0.61) SSTR3MEN1KMT2AKDM1AMAOA
SCHEMBL2645047 0.84 HRH3 (0.69) SSTR3MEN1KMT2ALMNAPOLB
SCHEMBL1042778 0.82 HRH3 (0.72) SSTR3LMNASMN1; SMN2POLBRAB9A
SCHEMBL19329149 0.80 POLB (0.70) SSTR3MEN1KMT2AKDM1AMAOA
SCHEMBL3899502 0.80 KDM1A (0.56) SSTR3KDM1APOLBHRH3
SCHEMBL8314076 0.80 SSTR3 (0.61) SSTR3MAOASMN1; SMN2POLBRAB9A
SCHEMBL5460896 0.80 HRH3 (0.63) SSTR3MEN1KMT2AKDM1AMAOA
SCHEMBL3899511 0.80 KDM1A (0.56) SSTR3KDM1APOLBHRH3
SCHEMBL8235938 0.79 KDM1A (0.59) SSTR3MEN1KMT2AKDM1AMAOA
SCHEMBL2198525 0.79 KDM1A (0.58) SSTR3MEN1KMT2AKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787716-B1 Isoprene derivatives NISSHIN FLOUR MILLING CO (JP) 1999-12-08 EP disclosed
EP-0888336-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
US-5756475-A POLYISOPRENE MODIFIED WITH AMINE WITH ANTICANCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-26 US disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
EP-0787716-A1 Isoprene derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-08-06 EP disclosed