SCHEMBL9806401

SCHEMBL9806401

CCCc1nccn1C(C)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.56
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28527124 0.87 FPR2 (0.57) FPR2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2970104 0.81 FPR2 (0.51) FPR2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL28415000 0.78 FPR2 (0.48) FPR2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL30554020 0.78 FPR2 (0.48) FPR2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL28520005 0.77 FPR2 (0.47) FPR2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL2407748 0.76 LPO (0.44) FPR2CYP1A2LMNAKDM4EALDH1A1
SCHEMBL14254645 0.76 KCNH2 (0.35) FPR2ALDH1A1POLBTSHRKMT2A
SCHEMBL23706343 0.75 FPR2 (0.41) FPR2LMNAKDM4EMAPTPOLB
SCHEMBL9806455 0.74 FPR2 (0.37) FPR2LMNAGAAKDM4ENPC1
SCHEMBL9806388 0.73 SMN1; SMN2 (0.34) FPR2SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299727-B1 THERAPEUTIC AGENTS Pfizer Limited (GB) 1991-11-13 EP disclosed
US-4992447-A Asthma PFIZER INC. (US) 1991-02-12 US disclosed
US-4853392-A Fused 1,4-dihydropyridines as antiallergy and antiinflammatory agents PFIZER INC. (US) 1989-08-01 US disclosed
EP-0299727-A1 Therapeutic agents Pfizer Limited (GB) 1989-01-18 EP disclosed