SCHEMBL20156912

SCHEMBL20156912

C=C(c1cc(CN2CCN(C3=CCCC=C3C)CC2)ccc1C)N1CCN(C2=CCCC=C2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR7 P34969 1/20 0.34
PHGDH O43175 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 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
SCHEMBL20157214 0.88 SLC6A7 (0.36) KDM4EALDH1A1USP2POLBKMT2A
SCHEMBL20157292 0.86 MCHR1 (0.31)
SCHEMBL20156915 0.83 LMNA (0.33) LMNAKDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL20157531 0.74 FAAH (0.39) FAAHHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL20157038 0.74 SLC6A7 (0.38) KDM4EALDH1A1POLBKMT2A
SCHEMBL20157229 0.72
SCHEMBL20157271 0.71 MC4R (0.38) FAAHHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL20157537 0.70 ALDH1A1 (0.33) HTTLMNAKDM4EALDH1A1NPSR1
SCHEMBL20156907 0.70 HTT (0.38) FAAHHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL20157301 0.69 HTT (0.35) FAAHHTTLMNAALDH1A1SMN1; SMN2

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed