SCHEMBL9449197

SCHEMBL9449197

Cc1[nH]c2cc(OCc3ccccc3)ccc2c1C1CN2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
MAOA P21397 3/20 0.46
CHRNB2 P17787 3/20 0.43
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNA7 P36544 3/20 0.43
CHRNA4 P43681 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
MCHR1 Q99705 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9449668 0.92 TRPM8 (0.51) CTSVCTSLMAOACHRNB2CHRNB4
SCHEMBL9449052 0.82 KDM4E (0.43) MAOACHRNA7MCHR1KDM4ELMNA
SCHEMBL9449311 0.79 IMPDH2 (0.50) CTSVCTSLCHRNB2CHRNB4CHRNA3
SCHEMBL9449042 0.79 HPGD (0.35) CHRNA7MCHR1KDM4EHPGDHSD17B10
SCHEMBL9448855 0.78 CHRNA7 (0.49) CHRNA7MCHR1
SCHEMBL9448864 0.78 GAA (0.47) CHRNA7KDM4ELMNAMAPTHTT
SCHEMBL9448924 0.78 KDM4E (0.40) CHRNA7KDM4ELMNAMAPTHPGD
SCHEMBL9449046 0.78 KMT2A (0.36) KDM4EMAPTHPGDHTTHSD17B10
SCHEMBL9448822 0.78 KDM4E (0.47) MCHR1KDM4EMAPTHPGDHSD17B10
SCHEMBL9449116 0.78 KMT2A (0.41) CHRNA7MCHR1HTT

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-5227386-A INDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-07-13 US disclosed