SCHEMBL7960198

SCHEMBL7960198

CCCCN(C(=O)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
AVPR2 P30518 2/20 0.43
OXTR P30559 2/20 0.43
AVPR1A P37288 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.40
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 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
SCHEMBL7958428 0.92 MEN1 (0.46) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL6981025 0.89 MEN1 (0.57) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7948560 0.88 TP53 (0.43) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL6978699 0.87 POLB (0.48) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL6980414 0.86 TP53 (0.44) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL6979414 0.84 LTB4R2 (0.40) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL6986538 0.83 TP53 (0.49) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL6981593 0.81 LTB4R2 (0.52) MEN1KMT2AALDH1A1AVPR2OXTR
SCHEMBL6977395 0.81 TP53 (0.46) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7956609 0.80 NR3C1 (0.44) MEN1KMT2ANPC1ALDH1A1MAPT

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
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