SCHEMBL8910780

SCHEMBL8910780

NCCCCc1ccccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
MAOA P21397 1/20 0.52
ADRA2C P18825 1/20 0.46
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
FOLH1 Q04609 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PDCD1 Q15116 1/20 0.40

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
SCHEMBL27472829 0.94 DPP4 (0.63) DPP4MAOAADRA2CKMT2ATP53
SCHEMBL1868872 0.85 DPP4 (0.68) DPP4ADRA2CKMT2ATP53MAPK1
SCHEMBL12506252 0.85 DPP4 (0.60) DPP4ADRA2CKMT2AMAPK1FOLH1
SCHEMBL5099931 0.82 DPP4 (0.53) DPP4ADRA2CKMT2APDCD1CD274
SCHEMBL28031084 0.82 DPP4 (0.57) DPP4ADRA2CKMT2AFOLH1PTGER1
SCHEMBL11334269 0.82 DPP4 (0.52) DPP4KMT2AFOLH1PTGER1PTGER4
SCHEMBL8939722 0.82 DPP4 (0.52) DPP4MAOAKMT2APTGER1PTGER4
SCHEMBL11333152 0.80 DPP4 (0.65) DPP4ADRA2CKMT2AMAPK1FOLH1
SCHEMBL3680377 0.80 MAOA (0.61) MAOATAAR1HRH1
SCHEMBL1026184 0.80 PPARA (0.53) DPP4CA12CA1CA2CA7

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
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
US-5614614-A ANTIBIOTICS, CHEMICAL INTERMEDIATES ROUSSEL UCLAF (FR) 1997-03-25 US disclosed
US-5527780-A BACTERICIDES ROUSSEL UCLAF (FR) 1996-06-18 US disclosed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed
US-4055664-A ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC ARMOUR PHARMACEUTICAL COMPANY (US) 1977-10-25 US disclosed
US-4055664-A ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC ARMOUR PHARMACEUTICAL COMPANY (US) 1977-10-25 US disclosed