SCHEMBL4253392

SCHEMBL4253392

CCN(N)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KEAP1 Q14145 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2A6 P11509 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 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
SCHEMBL734580 0.82 HTR1B (0.48) SIGMAR1L3MBTL1ALDH1A1KMT2A
SCHEMBL29657743 0.79 SIGMAR1 (0.54) SIGMAR1L3MBTL1ALDH1A1KMT2ACYP1A2
SCHEMBL517207 0.79 SIGMAR1 (0.54) SIGMAR1L3MBTL1ALDH1A1KMT2ACYP1A2
SCHEMBL14461587 0.79 SIGMAR1 (0.54) SIGMAR1L3MBTL1ALDH1A1KMT2ACYP1A2
SCHEMBL28274542 0.79 HTR1B (0.42) SIGMAR1ALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL28274536 0.79 HTR1B (0.42) SIGMAR1ALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL1593235 0.78 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2ACYP1A2CYP2D6
Bromide SCHEMBL7412701 0.78 SIGMAR1 (0.53) SIGMAR1L3MBTL1ALDH1A1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL4747710 0.78 SIGMAR1 (0.53) SIGMAR1L3MBTL1ALDH1A1KMT2ACYP1A2
SCHEMBL29862183 0.78 SIGMAR1 (0.57) SIGMAR1L3MBTL1ALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 EP disclosed
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed
US-4081596-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 US disclosed
US-4005215-A DIURETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed