SCHEMBL17188136

SCHEMBL17188136

COc1ccc2cccc([CH]C(C)C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.53
MTNR1B P49286 3/20 0.53
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
HTR2A P28223 2/20 0.46
NQO2 P16083 1/20 0.45
KRAS P01116 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL1897588 0.81 MTNR1A (0.57) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL1882848 0.80 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL31656345 0.80 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL1885376 0.80 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL10298599 0.79 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL3243723 0.75 ALDH1A1 (0.45) MTNR1AMTNR1BCYP2A6
SCHEMBL15723778 0.75 CYP1A2 (0.57) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL1402462 0.74 CYP1A2 (0.55) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
Acetonitrile SCHEMBL27175951 0.74 MTNR1A (0.53) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL7009575 0.73 MTNR1A (0.66) MTNR1AMTNR1B

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
EP-3134392-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-03-01 EP disclosed
WO-2015158313-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 WO disclosed