SCHEMBL6981558

SCHEMBL6981558

CCCCCCCCOC(=O)NC(=N)c1ccc(CCC(=O)N2CCCc3cc(Nc4ccccc4CC(=O)OCC)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
AVPR2 P30518 2/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOTUM Q6P988 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL6980893 0.92 KMT2A (0.40) NR3C1MAPTLMNAAVPR2MEN1
SCHEMBL6984049 0.82 NR3C1 (0.52) NR3C1MAPTLMNAMEN1KMT2A
SCHEMBL6984844 0.79 USP2 (0.39) NR3C1MAPTLMNAADRB2ADRB1
SCHEMBL6978185 0.76 ALDH1A1 (0.51) NR3C1MAPTLMNAMEN1KMT2A
SCHEMBL6982230 0.74 NR3C1 (0.47) NR3C1MAPTLMNAALDH1A1HPGD
SCHEMBL6984183 0.74 F2 (0.40) NR3C1POLBTP53ALDH1A1SMN1; SMN2
SCHEMBL7960542 0.73 F2 (0.41) MAPTAVPR2OXTRAVPR1APOLB
SCHEMBL6984100 0.72 TP53 (0.41) MAPTLMNAAVPR2MEN1KMT2A
SCHEMBL6981262 0.71 NR3C1 (0.53) NR3C1MAPTLMNAMEN1KMT2A
SCHEMBL6985425 0.70 NR3C1 (0.52) NR3C1MAPTLMNAMEN1KMT2A

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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed