SCHEMBL6980094

SCHEMBL6980094

CCCN(CCC)C(=O)CN(Cc1ccccc1)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.42
NR3C1 P04150 2/20 0.41
ALDH1A1 P00352 4/20 0.39
AR P10275 1/20 0.39
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 3/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL6979167 0.89 KDM1A (0.47) KDM1ANR3C1ALDH1A1ARMEN1
SCHEMBL6982684 0.88 KDM1A (0.43) KDM1ANR3C1ALDH1A1ARMEN1
SCHEMBL6984164 0.88 KDM1A (0.43) KDM1ANR3C1ALDH1A1ARMEN1
Hydrochloric Acid SCHEMBL6985460 0.87 F2 (0.40) NR3C1ALDH1A1MEN1HPGDKMT2A
SCHEMBL6977074 0.86 KDM1A (0.45) KDM1ANR3C1ALDH1A1MEN1HPGD
SCHEMBL7090379 0.86 TP53 (0.45) KDM1ANR3C1ALDH1A1ARMEN1
SCHEMBL6980097 0.85 KDM1A (0.37) KDM1AALDH1A1ARMEN1HPGD
SCHEMBL6981593 0.84 LTB4R2 (0.52) NR3C1ALDH1A1MEN1HPGDKMT2A
SCHEMBL6985998 0.84 NR3C1 (0.47) KDM1ANR3C1ALDH1A1ARMEN1
SCHEMBL6986006 0.83 NR3C1 (0.46) KDM1ANR3C1ALDH1A1ARMEN1

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