SCHEMBL11489162

SCHEMBL11489162

CC(O)(CCCN1CCCCC1)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.49
▸ CHRM4 P08173 2/20 0.49
▸ CHRM5 P08912 2/20 0.49
▸ CHRM1 P11229 2/20 0.49
▸ CHRM3 P20309 2/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ SCN1A P35498 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ SCN2A Q99250 1/20 0.49
▸ SCN3A Q9NY46 1/20 0.49
▸ HRH3 Q9Y5N1 7/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL11485901 0.92 LMNA (0.47) CHRM2CHRM1HTR1ACYP2D6OPRM1
SCHEMBL11489040 0.92 LMNA (0.47) CHRM2CHRM1HTR1ACYP2D6OPRM1
SCHEMBL11496495 0.90 ALDH1A1 (0.47) CHRM2CHRM1SIGMAR1HTR1ACYP2D6
SCHEMBL11492973 0.88 KCNH2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11489475 0.87 ALDH1A1 (0.57) SIGMAR1KDM4ELMNAMAPK1ALDH1A1
SCHEMBL11496128 0.86 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11489416 0.86 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11495755 0.83 PSMB1 (0.41) SIGMAR1HRH3ATML3MBTL1PSMB1
SCHEMBL8967625 0.81 CHRM2 (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11493248 0.80 LTA4H (0.55) KDM4EHRH3LMNAATML3MBTL1

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-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 — — US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 — — US disclosed
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