SCHEMBL11418422

SCHEMBL11418422

CC(C)CCN(CCN(C)C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.46
▸ HRH1 P35367 5/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 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
SCHEMBL6057465 0.90 TSHR (0.42) HTR2AHRH1ADRA2BSLC6A2SLC6A4
SCHEMBL11501576 0.86 TAAR1 (0.50) HTR2AHRH1TAAR1CHRM2ADRA2A
SCHEMBL2417791 0.81 TSHR (0.52) TAAR1TDP1MAPK1HTTNPC1
SCHEMBL11425085 0.79 CNR2 (0.44) HTR2AHRH1TAAR1CHRM2ADRA2A
SCHEMBL11411350 0.77 EGFR (0.57) HTR2AHRH1TAAR1TDP1CHRM2
SCHEMBL9773231 0.76 KDM4E (0.46) HTR2AHRH1TAAR1TDP1OPRK1
SCHEMBL8942276 0.76 TSHR (0.55) HTR2AHRH1TAAR1CHRM2ADRA2A
SCHEMBL11456446 0.76 EGFR (0.39) HTR2AHRH1TDP1CHRM2ADRA2A
SCHEMBL11749680 0.76 TAAR1 (0.47) HTR2AHRH1TAAR1CHRM2ADRA2A
SCHEMBL17151053 0.76 CNR2 (0.47) HTR2AHRH1TAAR1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 — — US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 — — US disclosed
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