SCHEMBL9027465

SCHEMBL9027465

COc1c(Cc2c(CC(C)C)[nH]c3ccccc23)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32

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
SCHEMBL9027478 0.95 CNR1 (0.32) CNR1CNR2CTSVCTSLGABRP
SCHEMBL9025425 0.91 MAPT (0.39) CNR1CNR2CTSVCTSLGABRP
SCHEMBL9025808 0.90 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9026147 0.83 KMT2A (0.40) MEN1KMT2ACYP3A4TDP1POLB
SCHEMBL9026581 0.80 ALDH1A1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9026029 0.80 ALDH1A1 (0.40) HPGDTSHRALDH1A1LMNAHTT
SCHEMBL9026486 0.79 ALDH1A1 (0.36) CYP3A4CYP2C9CYP2C19HPGDTSHR
SCHEMBL9026820 0.77 GPR84 (0.38) CNR1CNR2MEN1KMT2ACYP3A4
SCHEMBL9026872 0.77 SOS2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9027221 0.77 PDE10A (0.36) CTSVCTSLMEN1KMT2AHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed