SCHEMBL9549309

SCHEMBL9549309

CCCCCCCCCCCCCCCC[N+](C)(C)CN1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
APEX1 P27695 2/20 0.42
PMP22 Q01453 2/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
DNM1 Q05193 6/20 0.41
PIK3CD O00329 1/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39

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
SCHEMBL9549166 1.00 HTT (0.42) HTTALDH1A1LMNACHRM2CHRM5
SCHEMBL9549530 1.00 HTT (0.42) HTTALDH1A1LMNACHRM2CHRM5
SCHEMBL9549175 1.00 HTT (0.42) HTTALDH1A1LMNACHRM2CHRM5
SCHEMBL9549286 1.00 HTT (0.42) HTTALDH1A1LMNACHRM2CHRM5
Hydrochloric Acid SCHEMBL9549535 0.98 HTT (0.41) HTTALDH1A1LMNACHRM2CHRM5
Hydrochloric Acid SCHEMBL9549295 0.98 HTT (0.41) HTTALDH1A1LMNACHRM2CHRM5
Hydrochloric Acid SCHEMBL9549243 0.98 HTT (0.41) HTTALDH1A1LMNACHRM2CHRM5
Hydrochloric Acid SCHEMBL9549172 0.98 HTT (0.41) HTTALDH1A1LMNACHRM2CHRM5
Hydrochloric Acid SCHEMBL9549118 0.98 HTT (0.41) HTTALDH1A1LMNACHRM2CHRM5
Hydrochloric Acid SCHEMBL9549087 0.98 HTT (0.41) HTTALDH1A1LMNACHRM2CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288515-B1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS ISP INVESTMENTS INC. (US) 1993-05-05 EP claimed
EP-0288515-A4 QUATERNIZED NITROGEN CONTAINING COMPOUNDS 1990-09-26 EP claimed
US-4834970-A Cosometic compositions containing quaternized nitrogen containing compound GAF CORPORATION (US) 1989-05-30 US claimed
EP-0288515-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS. GAF CORP (US) 1988-11-02 EP claimed
WO-1988002985-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS GAF CORPORATION (US) 1988-05-05 WO claimed
US-4732990-A BACTERICIDES, HAIR CONDITIONERS GAF CORPORATION (US) 1988-03-22 US claimed