SCHEMBL6980091

SCHEMBL6980091

CCCN(CCC)C(=O)Cc1ccccc1CNc1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
NR3C1 P04150 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.36
RORC P51449 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
AVPR2 P30518 2/20 0.35
OXTR P30559 1/20 0.35

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
SCHEMBL6984100 0.88 TP53 (0.41) TP53MEN1KMT2AFPR1FPR2
SCHEMBL6985994 0.85 POLB (0.43) TP53NR3C1MEN1KMT2AFPR1
SCHEMBL7090378 0.85 TP53 (0.47) TP53NR3C1MEN1KMT2AFPR1
SCHEMBL6976631 0.82 HSD17B3 (0.46) TP53NR3C1MEN1KMT2AFPR1
SCHEMBL6979870 0.82 RAB9A (0.44) TP53NR3C1MEN1KMT2AFPR1
SCHEMBL6976871 0.80 FFAR1 (0.49) TP53NR3C1MEN1KMT2AFPR1
SCHEMBL6984731 0.79 TP53 (0.45) TP53NR3C1MEN1KMT2AFPR1
SCHEMBL6976282 0.78 TP53 (0.44) TP53NR3C1FPR1FPR2ALDH1A1
SCHEMBL6977072 0.78 FPR1 (0.39) TP53NR3C1MEN1KMT2AFPR1
SCHEMBL6986432 0.78 TP53 (0.48) TP53NR3C1MEN1KMT2AFPR1

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 1 patent. 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