SCHEMBL9769982

SCHEMBL9769982

CCC(Br)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.33
KCNA5 P22460 3/20 0.33
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 3/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KCNH2 Q12809 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL11878321 0.79 KCNH2 (0.39) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL482849 0.76 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL11778856 0.75 FDPS (0.31)
SCHEMBL10042012 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL1994023 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL23108665 0.73 KMT2A (0.42) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL21564194 0.73 KMT2A (0.42) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL643674 0.73 KMT2A (0.42) ALDH1A1KMT2AMAPTLMNAHPGD
Bromide SCHEMBL11717632 0.73 FDPS (0.30)
SCHEMBL11714077 0.73 CHRM2 (0.34) KCNH2

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
US-5013837-A Treatment of glaucoma STERLING DRUG INC. (US) 1991-05-07 US 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-4973587-A 3-arylcarbonyl-1-aminoalkyl-1H-indole-containing antiglaucoma method STERLING DRUG INC. (US) 1990-11-27 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