SCHEMBL8408732

SCHEMBL8408732

CCCCCCCCCCCCNN1CCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.66
GNAO1 P09471 1/20 0.66
GNAI1 P63096 1/20 0.66
EPHX1 P07099 8/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
THRB P10828 1/20 0.36
DPP4 P27487 2/20 0.36
NAAA Q02083 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARA Q07869 2/20 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
SCHEMBL8412004 1.00 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1TSHR
SCHEMBL6391709 0.95 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1TSHR
SCHEMBL9598276 0.95 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1TSHR
SCHEMBL8424808 0.95 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1TSHR
SCHEMBL11179091 0.95 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1TSHR
SCHEMBL10740911 0.93 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1TSHR
Bromide SCHEMBL28400706 0.93 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1TSHR
SCHEMBL9441284 0.93 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1TSHR
Hydrochloric Acid SCHEMBL28332000 0.93 GNAI3 (0.69) GNAI3GNAO1GNAI1EPHX1TSHR
SCHEMBL17107331 0.93 GNAI3 (0.62) GNAI3GNAO1GNAI1EPHX1TSHR

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-0807696-B1 Process for condirioning the feed water of once-through forced flow steam generators. FABORGA SA (CH) 1999-07-28 EP disclosed
EP-0807696-A1 Alkalizing agent for water conditioning FABORGA S.A. (CH) 1997-11-19 EP disclosed
EP-0149174-B1 AMPHOTERIC COMPOUNDS, MIXTURES CONTAINING THESE COMPOUNDS FOR DESINFECTANT CLEANING AND PROCESSES FOR THE PREPARATION OF THESE COMPOUNDS AND MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-23 EP disclosed
US-4584121-A MICROBIOCIDES, ANTISEPTICS HOECHST AKTEINGESELLSCHAFT (DE) 1986-04-22 US disclosed
EP-0149174-A1 Amphoteric compounds, mixtures containing these compounds for desinfectant cleaning and processes for the preparation of these compounds and mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-24 EP disclosed