SCHEMBL6960382

SCHEMBL6960382

O=C(NC1CCC(c2ccc(F)cc2)CC1)[C@@H]1CCNC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 1/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.41
EPHX2 P34913 2/20 0.41
GHSR Q92847 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6966294 0.80 GHSR (0.43) BRD3POLBEPHX2GHSR
SCHEMBL3330730 0.80 POLB (0.64) BRD3KMT2APOLBEPHX2SMN1; SMN2
SCHEMBL3761565 0.80 POLB (0.64) BRD3KMT2APOLBEPHX2SMN1; SMN2
SCHEMBL3328247 0.80 POLB (0.64) BRD3KMT2APOLBEPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL2015703 0.78 POLB (0.62) BRD3KMT2APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL2021306 0.78 POLB (0.62) BRD3KMT2APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL2015072 0.78 POLB (0.62) BRD3KMT2APOLBSMN1; SMN2
SCHEMBL2146675 0.75 KMT2A (0.56) KMT2APOLB
SCHEMBL2146682 0.75 KMT2A (0.56) KMT2APOLB
Hydrochloric Acid SCHEMBL2146077 0.73 KMT2A (0.55) KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP claimed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP claimed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO claimed
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed