SCHEMBL11209167

SCHEMBL11209167

NCCSCc1ccc(CNCC(F)(F)F)o1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.50
▸ ACHE P22303 13/20 0.37
▸ BCHE P06276 8/20 0.37
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HRH2 P25021 1/20 0.31

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
SCHEMBL10857640 0.78 PRMT6 (0.51) PRMT6ACHEBCHEHRH2
SCHEMBL11360362 0.78 PRMT6 (0.55) PRMT6ACHEBCHEHRH2
SCHEMBL11463439 0.77 PRMT6 (0.50) PRMT6ACHEBCHECYP1A2CYP3A4
SCHEMBL10846891 0.77 PRMT6 (0.50) PRMT6ACHEBCHECYP1A2CYP3A4
SCHEMBL10741444 0.76 PRMT6 (0.61) PRMT6ACHEBCHEHRH2
SCHEMBL10848949 0.75 PRMT6 (0.49) PRMT6ACHEBCHE
Hydrochloric Acid SCHEMBL11475500 0.75 PRMT6 (0.49) PRMT6ACHEBCHECYP1A2CYP3A4
SCHEMBL11371642 0.74 PRMT6 (0.62) PRMT6ACHEBCHEHRH2
SCHEMBL11361537 0.73 PRMT6 (0.66) PRMT6ACHEBCHECYP1A2CYP3A4
SCHEMBL11211136 0.73 ACHE (0.57) ACHEBCHECYP2C19HRH2

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
EP-0002930-B1 AMINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1983-12-14 — — EP disclosed
US-4304780-A Aminoalkylthiophene derivatives as histamine H2 -antagonists GLAXO GROUP LIMITED (GB) 1981-12-08 — — US disclosed
US-4279911-A ANTIHISTAMINES GLAXO GROUP LIMITED (GB) 1981-07-21 — — US disclosed
US-4233302-A ANTIHISTAMINES, ANTAGONISTS GLAXO GROUP LIMITED (GB) 1980-11-11 — — US disclosed
EP-0002930-A1 Amine derivatives, their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1979-07-11 — — EP disclosed
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