SCHEMBL11670387

SCHEMBL11670387

CN(CCOC(=O)Oc1ccc(C2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ STAT3 P40763 4/20 0.39
▸ CHRM2 P08172 4/20 0.39
▸ CHRM1 P11229 4/20 0.39
▸ CHRM4 P08173 3/20 0.39
▸ CHRM3 P20309 3/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KCNH2 Q12809 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
SCHEMBL11670275 0.87 CHRM2 (0.42) POLBALDH1A1MAPTSMN1; SMN2STAT3
SCHEMBL11670571 0.84 MEN1 (0.39) POLBALDH1A1MAPTSMN1; SMN2STAT3
SCHEMBL11211219 0.83 MTNR1A (0.45) ALDH1A1MAPTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL11676226 0.82 HRH3 (0.49) CYP3A4SLC6A2SLC6A3KCNH2HRH3
SCHEMBL11672203 0.80 MTNR1A (0.48) ALDH1A1SMN1; SMN2TSHRMTNR1AMTNR1B
SCHEMBL11671287 0.80 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2CHRM2LMNA
SCHEMBL11671961 0.80 LSS (0.43) ALDH1A1SMN1; SMN2CHRM2CYP1A2MTNR1A
SCHEMBL11672425 0.79 LMNA (0.50) ALDH1A1SMN1; SMN2CYP3A4LMNACYP1A2
SCHEMBL11669971 0.78 LTA4H (0.47) CYP1A2CYP2D6MTNR1AMTNR1B
SCHEMBL11671273 0.78 RAB9A (0.47) ALDH1A1MAPTSMN1; SMN2CHRM2LMNA

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-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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