SCHEMBL6984734

SCHEMBL6984734

CCCC(=O)N(C)c1cccc2c1N(C(=O)CCc1ccc(C#N)cc1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.36
OXTR P30559 2/20 0.36
AVPR1A P37288 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGER4 P35408 1/20 0.35
FPR1 P21462 2/20 0.34
FPR2 P25090 2/20 0.34
TP53 P04637 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL6981987 0.86 PTGER4 (0.38) AVPR2OXTRAVPR1AMAPTNPC1
SCHEMBL6979942 0.85 TSHR (0.38) AVPR2OXTRAVPR1AMAPTNPC1
SCHEMBL6984810 0.84 PTGER4 (0.38) AVPR2OXTRAVPR1APTGER4FPR1
SCHEMBL6986002 0.84 RXRA (0.45) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6981595 0.82 LTB4R2 (0.46) AVPR2OXTRAVPR1AMAPTNPC1
SCHEMBL6977636 0.82 ALDH1A1 (0.42) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6986008 0.81 MEN1 (0.39) AVPR2OXTRAVPR1AMAPTNPC1
SCHEMBL6982610 0.81 ALDH1A1 (0.40) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6984728 0.81 TP53 (0.44) AVPR2OXTRAVPR1AMAPTNPC1
SCHEMBL6980097 0.80 KDM1A (0.37) AVPR2OXTRAVPR1AMAPTNPC1

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