SCHEMBL6977052

SCHEMBL6977052

CC1CCN(C(=O)CCc2ccc(C#N)cc2)c2ccc(N)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KDM1A O60341 9/20 0.38
YAP1 P46937 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6980061 0.85 KCNJ1 (0.47) TP53HRH3MAPK1MAPTSMN1; SMN2
SCHEMBL6975443 0.81 TP53 (0.54) TP53MAPK1NPC1MAPTRAB9A
SCHEMBL6977058 0.80 FFAR1 (0.36) KDM1AYAP1MAPK1SMN1; SMN2KCNJ1
SCHEMBL6974883 0.80 TP53 (0.41) TP53KDM1AMAPK1NPC1MAPT
SCHEMBL6985046 0.79 KMT2A (0.43) MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6979722 0.79 TP53 (0.48) TP53MAPK1NPC1MAPTRAB9A
SCHEMBL7959087 0.79 TP53 (0.48) TP53MAPK1NPC1MAPTRAB9A
SCHEMBL7410530 0.69 TP53 (0.45) TP53KDM1AALDH1A1
SCHEMBL6985050 0.69 ALDH1A1 (0.39) YAP1NPC1MAPTRAB9AALDH1A1
SCHEMBL6986432 0.68 TP53 (0.48) TP53MAPK1NPC1MAPTRAB9A

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 2 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