SCHEMBL27514751

SCHEMBL27514751

O=C(c1cc[c]cc1)C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.50
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD11B1 P28845 1/20 0.39
MGLL Q99685 1/20 0.39
PDK2 Q15119 1/20 0.38

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
SCHEMBL5214996 0.96 SRD5A2 (0.55) SRD5A2KMT2AMEN1RAB9ANPC1
SCHEMBL5218499 0.94 SRD5A2 (0.58) SRD5A2KMT2AMEN1RAB9ANPC1
SCHEMBL232050 0.91 NPC1 (0.47) SRD5A2KMT2AMEN1RAB9ANPC1
SCHEMBL25292565 0.82 POLB (0.43) SRD5A2KMT2AMEN1RAB9ANPC1
SCHEMBL11716695 0.82 MEN1 (0.62) SRD5A2KMT2AMEN1RAB9ANPC1
SCHEMBL4040222 0.80 MEN1 (0.47) KMT2AMEN1HSD11B1MGLL
SCHEMBL3113279 0.78 SRD5A2 (0.58) SRD5A2KMT2AMEN1HSD11B1MGLL
SCHEMBL21402759 0.78 PLG (0.47) SRD5A2KMT2AMEN1RAB9ANPC1
SCHEMBL5462745 0.77 SRD5A2 (0.79) SRD5A2KMT2AMEN1RAB9ANPC1
SCHEMBL1335827 0.77 SRD5A2 (0.56) SRD5A2KMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1215045-C Stable salts of novel derivatives of 3, 3-diphenylpropylamines SANOL ARZNEI SCHWARZ GMBH (DE) 2005-08-17 CN claimed
CN-1390194-A Stable salts of novel derivatives of 3, 3-diphenylpropylamines SANOL ARZNEI SCHWARZ GMBH (DE) 2003-01-08 CN claimed