SCHEMBL11211249

SCHEMBL11211249

CC(C)N(CCCCl)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
SLC6A2 P23975 2/20 0.59
HTR2A P28223 2/20 0.59
ADRA1A P35348 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KCNH2 Q12809 2/20 0.59
CYP2D6 P10635 2/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
SLC22A3 O75751 1/20 0.59
ESR1 P03372 1/20 0.59
CHRM2 P08172 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59

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
SCHEMBL9110973 0.89 TSHR (0.62) TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C
SCHEMBL14024617 0.84 SIGMAR1 (0.54) TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C
SCHEMBL3874218 0.82 SIGMAR1 (0.53) TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C
SCHEMBL666712 0.81 SIGMAR1 (0.51) KCNH2CYP2D6DRD2OPRM1DRD3
Hydrochloric Acid SCHEMBL31687522 0.81 SIGMAR1 (0.51) TSHRALDH1A1SMN1; SMN2ADRA2BADRA2C
SCHEMBL23308021 0.81 SIGMAR1 (0.51) KCNH2CYP2D6DRD2OPRM1DRD3
SCHEMBL11258123 0.81 SIGMAR1 (0.51) KCNH2CYP2D6DRD2OPRM1DRD3
SCHEMBL667263 0.81 SIGMAR1 (0.51) KCNH2CYP2D6DRD2OPRM1DRD3
SCHEMBL667946 0.81 SIGMAR1 (0.51) KCNH2CYP2D6DRD2OPRM1DRD3
SCHEMBL667520 0.81 SIGMAR1 (0.51) KCNH2CYP2D6DRD2OPRM1DRD3

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-0018076-B1 9-AMINOALKYLFLUORENES, PROCESS THEREFOR AND ANTIARRHYTHMIC FORMULATIONS THEREOF ELI LILLY AND COMPANY (US) 1983-09-21 EP disclosed
EP-0018076-A1 9-Aminoalkylfluorenes, process therefor and antiarrhythmic formulations thereof ELI LILLY AND COMPANY (US) 1980-10-29 EP disclosed
US-4021557-A BRONCHOSPASMOLYTICS BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 US disclosed