SCHEMBL6979727

SCHEMBL6979727

N#Cc1ccc(CCC(=O)N2CCCc3cccc(N)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 1/20 0.38
PTGER4 P35408 1/20 0.37
PARP1 P09874 1/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL6986713 0.89 TSHR (0.41) TSHRUSP2ALDH1A1MEN1HPGD
SCHEMBL6979364 0.85 ALDH1A1 (0.41) TSHRUSP2ALDH1A1MEN1HPGD
SCHEMBL6986437 0.84 PTGER4 (0.41) TSHRUSP2ALDH1A1MEN1HPGD
SCHEMBL6985490 0.84 ALDH1A1 (0.40) TSHRUSP2ALDH1A1MEN1HPGD
SCHEMBL6981829 0.83 POLB (0.39) TSHRUSP2ALDH1A1MEN1HPGD
SCHEMBL6977399 0.83 PTGER4 (0.42) TSHRUSP2ALDH1A1MEN1HPGD
SCHEMBL6985248 0.83 MAPT (0.42) TSHRUSP2ALDH1A1MEN1HPGD
SCHEMBL6979462 0.82 MAPT (0.58) TSHRUSP2ALDH1A1MEN1HPGD
SCHEMBL6986544 0.81 PTGER4 (0.39) TSHRUSP2ALDH1A1MEN1HPGD
SCHEMBL7405737 0.81 PTGER4 (0.40) TSHRUSP2ALDH1A1MEN1HPGD

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 3 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
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