SCHEMBL9689455

SCHEMBL9689455

Cc1[nH]c2cc(OCc3ccccc3)ccc2c1Sc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.54
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
TRPM8 Q7Z2W7 1/20 0.51
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
IMPDH2 P12268 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
MAPT P10636 2/20 0.45
ENPP2 Q13822 1/20 0.44
MAOB P27338 2/20 0.43
ACHE P22303 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43

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
SCHEMBL31498142 0.81 MAOA (0.61) MAOACTSVCTSLTRPM8IMPDH2
SCHEMBL27590189 0.77 MAOA (0.56) MAOACTSVCTSLTRPM8IMPDH2
SCHEMBL2795363 0.76 CTSV (0.65) MAOACTSVCTSLMAOBACHE
SCHEMBL7255064 0.76 MAOA (0.64) MAOACTSVCTSLTRPM8IMPDH2
SCHEMBL7253632 0.74 CTSV (0.66) MAOACTSVCTSLTRPM8IMPDH2
SCHEMBL7256169 0.74 CTSV (0.66) MAOACTSVCTSLIMPDH2GABRA1
SCHEMBL14422827 0.74 CTSV (0.83) MAOACTSVCTSLTRPM8IMPDH2
SCHEMBL671752 0.74 ENPP2 (0.51) PTGS1PTGS2MAPTENPP2TUBB4A
SCHEMBL12225808 0.73 IMPDH2 (0.65) MAOACTSVCTSLTRPM8IMPDH2
Potassium Ion SCHEMBL31498179 0.73 CTSV (0.54) MAOACTSVCTSLTRPM8GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 EP disclosed
US-5013732-A Analgesics STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4978664-A Analgesic, anti-rheumatic, and anti-inflammatory agent STERLING DRUG INC. (US) 1990-12-18 US disclosed
US-4885295-A ANALGESICS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES STERLING DRUG INC. (US) 1989-12-05 US disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 EP disclosed