SCHEMBL9455859

SCHEMBL9455859

Cc1cc(N2CCCCC2)c(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.44
▸ IP6K1 Q92551 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PRNP P04156 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL26143882 0.79 ALDH1A1 (0.47) NCF1IP6K1L3MBTL1MAPTALDH1A1
SCHEMBL9456475 0.75 ALDH1A1 (0.39) IP6K1TSHRL3MBTL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL9455796 0.73 IP6K1 (0.37) IP6K1TSHRL3MBTL1MAPTALDH1A1
SCHEMBL22270616 0.73 ALDH1A1 (0.44) NCF1TSHRL3MBTL1MAPTALDH1A1
SCHEMBL9455892 0.72 IP6K1 (0.38) IP6K1TSHRMAPTALDH1A1MEN1
SCHEMBL31128265 0.71 L3MBTL1 (0.39) NCF1TSHRL3MBTL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL9455800 0.71 IP6K1 (0.38) IP6K1TSHRL3MBTL1MAPTALDH1A1
SCHEMBL20424608 0.70 MAPT (0.45) NCF1TSHRL3MBTL1MAPTALDH1A1
SCHEMBL31128227 0.69 CHRNB2 (0.37) NCF1IP6K1TSHRL3MBTL1MAPT
SCHEMBL30811705 0.69 CHRNB2 (0.49) MAPT

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
US-5250527-A Enzyme inhibitors; administering to reduce gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1993-10-05 — — US disclosed
EP-0184322-B1 BENZIMIDAZOLES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 — — EP disclosed
EP-0184322-A1 Benzimidazoles SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-06-11 — — EP disclosed
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