SCHEMBL14433984

SCHEMBL14433984

Oc1ccc2c(c1)SC1C=CC=CC1N2CC1CN2CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HTR2B P41595 1/20 0.40

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
SCHEMBL14433981 0.84 CHRM2 (0.54) EGFRPOLBCHRM2HTR1AADRA2A
SCHEMBL14434182 0.84 CHRM2 (0.54) EGFRPOLBCHRM2HTR1AADRA2A
SCHEMBL14434185 0.84 CHRM2 (0.54) EGFRPOLBCHRM2HTR1AADRA2A
SCHEMBL14433979 0.63 HTR3A (0.44) EGFRPOLBCHRM2HTR1AADRA2A
Mequitazine SCHEMBL18207 0.57 CYP2D6 (1.00) EGFRPOLBCHRM2HTR1AADRA2A
Mequitazine SCHEMBL29379090 0.57 CYP2D6 (1.00) EGFRPOLBCHRM2HTR1AADRA2A
Mequitazine SCHEMBL604639 0.57 CYP2D6 (1.00) EGFRPOLBCHRM2HTR1AADRA2A
Mequitazine SCHEMBL29382350 0.57 CYP2D6 (1.00) EGFRPOLBCHRM2HTR1AADRA2A
Mequitazine SCHEMBL605366 0.57 CYP2D6 (1.00) EGFRPOLBCHRM2HTR1AADRA2A
Mequitazine SCHEMBL18208 0.57 CYP2D6 (1.00) EGFRPOLBCHRM2HTR1AADRA2A

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
WO-2007085652-A1 USE OF THE (S) ENANTIOMER OF MEQUITAZINE FOR PREPARING A MEDICAMENT, WHILE AT THE SAME TIME LIMITING GENOMIC TOXICITY PIERRE FABRE MEDICAMENT (FR) 2007-08-02 — — WO disclosed
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