SCHEMBL11632102

SCHEMBL11632102

COc1ccccc1N1CCN(CCc2cc(=O)c3c(C)cc(C)cc3o2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ ATM Q13315 1/20 0.64
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ HTR7 P34969 8/20 0.53
▸ HTR2A P28223 7/20 0.53
▸ ADRA1A P35348 7/20 0.51
▸ ADRA1D P25100 3/20 0.51
▸ ADRA1B P35368 3/20 0.51
▸ HTR1A P08908 10/20 0.51
▸ DRD2 P14416 4/20 0.51
▸ HTR6 P50406 2/20 0.51
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL8800063 0.87 HTR1A (0.56) HTR7ADRA1AADRA1DADRA1BHTR1A
SCHEMBL11630022 0.84 ABCC1 (0.49) HTR7HTR2AADRA1AADRA1DADRA1B
SCHEMBL11627928 0.83 HTR1A (0.52) HTR7ADRA1AADRA1DADRA1BHTR1A
SCHEMBL11631716 0.83 MEN1 (0.63) MEN1KMT2AHTR7HTR2AADRA1A
SCHEMBL11629707 0.83 HTR1A (0.60) HTR7ADRA1AADRA1DADRA1BHTR1A
SCHEMBL11626417 0.81 HTR1A (0.50) MEN1KMT2AHTR7HTR2AADRA1A
SCHEMBL11630910 0.81 ADRA1D (0.58) MEN1KMT2AHTTHTR7HTR2A
SCHEMBL11630745 0.80 ABCC1 (0.50) HTR7ADRA1AADRA1DADRA1BHTR1A
Hydrochloric Acid SCHEMBL11634209 0.80 ABCC1 (0.49) HTR7ADRA1AADRA1DADRA1BHTR1A
SCHEMBL11630012 0.80 HTR2A (0.62) HTR7HTR2AADRA1AADRA1DADRA1B

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-4092416-A Benzopyrone derivatives exhibiting anti-allergic activity BOEHRINGER MANNHEIM GMBH (DT) 1978-05-30 — — US disclosed
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