SCHEMBL8028296

SCHEMBL8028296

O=C(c1ccccn1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.51
TLR7 Q9NYK1 1/20 0.50
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KDR P35968 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
PTAFR P25105 1/20 0.42

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
SCHEMBL625335 0.90 MAP4K4 (0.45) HSD11B1TLR7PTGS1PTGS2LMNA
SCHEMBL14957234 0.84 GRM4 (0.52) LMNAL3MBTL1CES2CES1NPC1
SCHEMBL626177 0.79 ALDH1A1 (0.44) TLR7PTGS2LMNAL3MBTL1CES2
SCHEMBL624814 0.79 ALDH1A1 (0.47) LMNAL3MBTL1CES2CES1NPC1
SCHEMBL625186 0.79 P2RX7 (0.46) HSD11B1TLR7PTGS1PTGS2LMNA
SCHEMBL14893836 0.79 TRPV3 (0.52) LMNACES2CES1NPC1RAB9A
SCHEMBL626043 0.79 LMNA (0.47) HSD11B1LMNAL3MBTL1CES2CES1
SCHEMBL625937 0.78 ALDH1A1 (0.49) LMNAL3MBTL1CES2CES1NPC1
SCHEMBL8026509 0.77 MAPT (0.51) LMNANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1350414 0.77 HDAC4 (0.43) HSD11B1LMNAL3MBTL1SMN1; SMN2ALDH1A1

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-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed