SCHEMBL8699753

SCHEMBL8699753

CN(CCO[N+](C)(C)Cc1ccc(Cl)cc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.51
SIGMAR1 Q99720 6/20 0.51
ACHE P22303 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
ATM Q13315 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
CCR5 P51681 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
Hydrochloric Acid SCHEMBL8699226 0.99 TMEM97 (0.50) TMEM97SIGMAR1ACHESMN1; SMN2GAA
SCHEMBL8702923 0.91 TSHR (0.53) SIGMAR1SMN1; SMN2TSHRCARM1PRMT6
Hydrochloric Acid SCHEMBL8704833 0.90 SMN1; SMN2 (0.52) SIGMAR1SMN1; SMN2TSHRCARM1PRMT6
SCHEMBL8699201 0.86 GAA (0.48) TMEM97SIGMAR1ACHESMN1; SMN2GAA
SCHEMBL8704864 0.85 ATM (0.55) TMEM97SIGMAR1ACHESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL8704288 0.85 SMN1; SMN2 (0.47) TMEM97SIGMAR1ACHESMN1; SMN2GAA
SCHEMBL8699475 0.85 TSHR (0.66) SIGMAR1ACHETSHR
Hydrochloric Acid SCHEMBL8704210 0.83 ATM (0.53) TMEM97SIGMAR1ACHESMN1; SMN2GAA
SCHEMBL8699793 0.82 ATM (0.45) TMEM97SIGMAR1SMN1; SMN2GAATSHR
Hydrochloric Acid SCHEMBL8703172 0.81 SMN1; SMN2 (0.45) TMEM97SIGMAR1SMN1; SMN2GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed