Sugi Predict

Sugi Predict / Compounds / Iodomethane

Iodomethane

Iodomethane

SCHEMBL8106360

CI.CN1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.95
▸ SLC6A4 P31645 11/20 0.95
▸ KCNH2 Q12809 1/20 0.67

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
SCHEMBL1388284 0.98 TACR1 (1.00) TACR1SLC6A4KCNH2
SCHEMBL5794108 0.93 TACR1 (1.00) TACR1SLC6A4
SCHEMBL13404228 0.87 TACR1 (0.80) TACR1SLC6A4
SCHEMBL14541486 0.86 TACR1 (0.79) TACR1SLC6A4
SCHEMBL3591447 0.86 TACR1 (0.77) TACR1SLC6A4KCNH2
SCHEMBL13404225 0.86 TACR1 (0.78) TACR1SLC6A4KCNH2
SCHEMBL1388475 0.85 TACR1 (1.00) TACR1SLC6A4
SCHEMBL8118943 0.85 TACR1 (0.76) TACR1SLC6A4
SCHEMBL13404226 0.85 TACR1 (0.77) TACR1SLC6A4
SCHEMBL13404232 0.85 TACR1 (0.76) TACR1SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666856-B1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 2000-01-05 — — EP disclosed
US-5620989-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; PARTICULARLY ANTAGONISTIC FOR SUBSTANCE P MERCK SHARP & DOHME LIMITED (GB) 1997-04-15 — — US disclosed
WO-1994010165-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 — — WO disclosed