SCHEMBL11674855

SCHEMBL11674855

CC(C)c1ccccc1OCCN1c2ccccc2C(C)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR7 P34969 16/20 0.40
▸ HTR1A P08908 14/20 0.40
▸ DRD2 P14416 6/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ HTR6 P50406 3/20 0.38

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
SCHEMBL11677855 0.86 HTR1A (0.38) HTR7HTR1ADRD2HTR6
SCHEMBL11677510 0.85 TDP1 (0.46) L3MBTL1HTR7HTR1A
SCHEMBL11676845 0.84 TSHR (0.44) L3MBTL1HTR7HTR1ADRD2HTR2A
SCHEMBL11678142 0.83 L3MBTL1 (0.42) L3MBTL1DRD2
SCHEMBL10887269 0.81 CRHBP (0.40) DRD2
SCHEMBL11675411 0.80 HRH1 (0.49) L3MBTL1HTR1ADRD2
SCHEMBL11431614 0.79 CRHBP (0.43) DRD2HTR2A
SCHEMBL9155272 0.78 CRHBP (0.48) DRD2HTR2A
SCHEMBL11677550 0.78 HRH3 (0.45) HTR1ADRD2
SCHEMBL11677439 0.78 KDM4E (0.44) DRD2

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
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
US-4000141-A SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 — — US disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 — — US disclosed
Send feedback