SCHEMBL7795033

SCHEMBL7795033

COc1nc2ccccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1.Cc1cc(C)cc(N2CCNCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 2/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
RBP4 P02753 1/20 0.40
P2RY12 Q9H244 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTR1D P28221 1/20 0.38

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
SCHEMBL6559618 0.94 MAPT (0.44) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL7800644 0.90 RBP4 (0.46) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL7794978 0.86 MEN1 (0.45) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL1138208 0.86 CA12 (0.43) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL4928692 0.86 CA12 (0.43) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL7800857 0.86 KMT2A (0.42) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL6561048 0.85 MAPT (0.43) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL6559685 0.85 MAPT (0.50) MAPTKMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL4928452 0.85 PHGDH (0.41) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL1138146 0.84 MAPT (0.44) MAPTKMT2AL3MBTL1ALDH1A1MEN1

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-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed