SCHEMBL7898733

SCHEMBL7898733

CCc1ccc(OC)c(CN[C@@H]2CCCN[C@@H]2c2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.79
CYP2D6 P10635 4/20 0.79
KCNH2 Q12809 1/20 0.72
HTR1A P08908 1/20 0.71
HTR2A P28223 1/20 0.71
HTR2C P28335 1/20 0.71
HRH1 P35367 1/20 0.71
HTR2B P41595 1/20 0.71
SLC6A3 Q01959 1/20 0.71
TMEM97 Q5BJF2 1/20 0.71
SIGMAR1 Q99720 1/20 0.71

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
SCHEMBL7898738 1.00 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6556178 1.00 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL8539292 0.99 TACR1 (0.77) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9294358 0.97 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9294289 0.94 TACR1 (0.69) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9294296 0.94 TACR1 (0.69) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9294292 0.94 TACR1 (0.69) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554923 0.92 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL8540841 0.91 TACR1 (0.78) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6557108 0.91 TACR1 (0.77) TACR1CYP2D6KCNH2HTR1AHTR2A

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-6194436-B1 THERAPY FOR LUNG CANCER PFIZER INC. 2001-02-27 US disclosed