SCHEMBL6985994

SCHEMBL6985994

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 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
SCHEMBL6976631 0.88 HSD17B3 (0.46) TP53FPR1FPR2MEN1KMT2A
SCHEMBL6979870 0.88 RAB9A (0.44) TP53FPR1FPR2MEN1KMT2A
SCHEMBL6984100 0.88 TP53 (0.41) TP53FPR1FPR2MEN1KMT2A
SCHEMBL7090378 0.86 TP53 (0.47) TP53FPR1FPR2MEN1KMT2A
SCHEMBL6976871 0.86 FFAR1 (0.49) TP53FPR1FPR2MEN1KMT2A
SCHEMBL6980091 0.85 TP53 (0.40) TP53FPR1FPR2MEN1KMT2A
SCHEMBL6977072 0.83 FPR1 (0.39) POLBTP53FPR1FPR2MEN1
SCHEMBL6986432 0.83 TP53 (0.48) TP53FPR1FPR2MEN1KMT2A
SCHEMBL6977631 0.83 BRD4 (0.56) TP53SMN1; SMN2MAPTBRD4CREBBP
SCHEMBL6983653 0.82 FPR1 (0.44) TP53FPR1FPR2MEN1KMT2A

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 4 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
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed