SCHEMBL6344211

SCHEMBL6344211

CC(C)CCN1CCC(C(=O)O)=Cc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GFER P55789 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MYC P01106 1/20 0.33
NR4A1 P22736 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32

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
SCHEMBL6516899 0.89 LMNA (0.45) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6341939 0.88 CYP1A2 (0.36) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6350680 0.87 LMNA (0.40) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6525034 0.82 LMNA (0.41) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6520807 0.82 LMNA (0.41) LMNAPMP22NPSR1GFERCYP1A2
SCHEMBL6352550 0.82 HRH2 (0.39) LMNAPMP22NPSR1GFERHTR2A
SCHEMBL6516859 0.80 KMT2A (0.46) LMNAPMP22NPSR1GFERMEN1
SCHEMBL6516854 0.80 KMT2A (0.46) LMNAPMP22NPSR1GFERMEN1
SCHEMBL5240544 0.80 MYC (0.39) LMNAPMP22NPSR1GFERMEN1
Hydrochloric Acid SCHEMBL5204621 0.79 MYC (0.38) LMNAPMP22NPSR1GFERMEN1

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
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP disclosed