SCHEMBL9806447

SCHEMBL9806447

CCCc1nccn1C(CCC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.36
▸ ALPG P10696 2/20 0.35
▸ PLAA Q9Y263 1/20 0.35
▸ ALPL P05186 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ SLC6A3 Q01959 5/20 0.33
▸ SLC6A2 P23975 3/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ AKR1A1 P14550 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL27867130 0.74 KCNH2 (0.33) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL14254645 0.73 KCNH2 (0.35) FPR2SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL30487722 0.72 FPR2 (0.36) FPR2SLC6A3SLC6A2TDP1SLC6A4
SCHEMBL26196830 0.72 KCNH2 (0.37) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9806401 0.72 FPR2 (0.56) FPR2SMN1; SMN2
SCHEMBL30487740 0.71 FPR2 (0.35) FPR2SLC6A3SLC6A2TDP1SLC6A4
SCHEMBL9806388 0.71 SMN1; SMN2 (0.34) FPR2SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL18516668 0.71 HSD17B10 (0.39) SMN1; SMN2TDP1
SCHEMBL22005535 0.70 SMN1; SMN2 (0.35) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL14155877 0.70 SMN1; SMN2 (0.43) SMN1; 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
Send feedback