SCHEMBL6677620

SCHEMBL6677620

O=C(Nc1ccc2c(c1)CCN(Cc1ncn[nH]1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APOB P04114 9/20 0.41
MTTP P55157 8/20 0.41
SMO Q99835 1/20 0.40
TACR1 P25103 2/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
ABCB1 P08183 1/20 0.36
KDR P35968 1/20 0.36
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ACACB O00763 1/20 0.36
NAMPT P43490 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
SCHEMBL7477640 0.92 TACR1 (0.39) APOBMTTPTACR1JAK2JAK3
SCHEMBL6966580 0.88 SCN9A (0.43) APOBMTTPSMOTACR1JAK2
SCHEMBL6973499 0.88 SMO (0.45) APOBMTTPSMOJAK2JAK3
SCHEMBL7041135 0.87 SMO (0.52) APOBMTTPSMOKDR
SCHEMBL6967435 0.86 APOB (0.41) APOBMTTPSMOJAK2JAK3
SCHEMBL6974835 0.86 ABCB1 (0.48) APOBMTTPABCB1TNFNOD2
SCHEMBL6964489 0.85 SMO (0.50) APOBMTTPSMO
SCHEMBL6974297 0.85 CACNA1G (0.51) APOBMTTPJAK2JAK3PTK2
SCHEMBL6974444 0.85 KDM4E (0.44) APOBMTTPSMOJAK2JAK3
SCHEMBL6688287 0.84 PRMT5 (0.38) TACR1ABCB1KDRTNFNOD2

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-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed