SCHEMBL8135702

SCHEMBL8135702

N#CNC(=NCCC1CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.44
NAMPT P43490 8/20 0.40
P2RX7 Q99572 4/20 0.37
HRH2 P25021 1/20 0.36
GPR35 Q9HC97 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ACP1 P24666 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL8135699 1.00 QPCT (0.44) QPCTNAMPTP2RX7HRH2GPR35
SCHEMBL8142433 0.89 HRH2 (0.48) QPCTNAMPTP2RX7HRH2
SCHEMBL8142436 0.89 HRH2 (0.48) QPCTNAMPTP2RX7HRH2
SCHEMBL8134099 0.83 QPCT (0.47) QPCTNAMPTGPR35LMNAMAPT
SCHEMBL8134103 0.83 QPCT (0.47) QPCTNAMPTGPR35LMNAMAPT
SCHEMBL8135713 0.82 NAMPT (0.40) QPCTNAMPTP2RX7HRH2
SCHEMBL8135718 0.82 NAMPT (0.40) QPCTNAMPTP2RX7HRH2
SCHEMBL4260986 0.80 QPCT (0.44) QPCTNAMPTGPR35LMNAMAPT
SCHEMBL4260989 0.80 QPCT (0.44) QPCTNAMPTGPR35LMNAMAPT
SCHEMBL7758049 0.80 QPCT (0.44) QPCTNAMPTGPR35LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US claimed
US-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US disclosed