SCHEMBL27472829

SCHEMBL27472829

NCCCc1ccccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.63
ADRA2C P18825 1/20 0.47
KMT2A Q03164 1/20 0.44
MAOA P21397 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
FOLH1 Q04609 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
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
ALDH1A1 P00352 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
SCHEMBL8910780 0.94 DPP4 (0.61) DPP4ADRA2CKMT2AMAOATP53
SCHEMBL1868872 0.87 DPP4 (0.68) DPP4ADRA2CKMT2ATP53MAPK1
SCHEMBL12506252 0.87 DPP4 (0.60) DPP4ADRA2CKMT2AMAPK1FOLH1
SCHEMBL5099931 0.83 DPP4 (0.53) DPP4ADRA2CKMT2APDCD1CD274
Hydrochloric Acid SCHEMBL27612579 0.83 DPP4 (0.44) DPP4ADRA2CTP53MAPK1RAB9A
SCHEMBL28031084 0.83 DPP4 (0.57) DPP4ADRA2CKMT2AFOLH1PTGER1
SCHEMBL11333152 0.82 DPP4 (0.65) DPP4ADRA2CKMT2AMAPK1FOLH1
SCHEMBL1535892 0.81 DPP4 (0.54) DPP4KMT2AFOLH1PTGER1PTGER4
SCHEMBL14415627 0.81 ADRA2C (0.50) DPP4ADRA2CPTGER1PTGER4PTGER3
Boric Acid SCHEMBL28704755 0.80 DPP4 (0.59) DPP4ADRA2CKMT2ATP53MAPK1

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
CN-117402085-A Novel method for synthesizing D-N-BOC-biphenylpropylamine 迪嘉药业集团股份有限公司 2024-01-16 CN disclosed
CN-115974634-B Method for preparing Sha Kuba curved compound by asymmetric catalytic hydrogenation 瑞博(苏州)制药有限公司 2023-11-28 CN disclosed
CN-101062916-B Three-substituted 1H-pyrromonazole compound, preparation method, medicament composition and pharmacy use thereof INST PHARM & TOXICOLOGY AMMS 2012-12-26 CN disclosed
CN-1147489-C New bicyclo aminopyrazineone compound, its producing process and medical composition containing them ɪά��ʵ���� 2004-04-28 CN disclosed
CN-1277198-A New bicyclo aminopyrazineone compound, its producing process and medical composition containing them ADIR (FR) 2000-12-20 CN disclosed