SCHEMBL10109405

SCHEMBL10109405

Cc1ccc(N(c2ccccc2)C2CCC(c3ccc(N(c4ccccc4)C4CCC(C)CC4)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CCR5 P51681 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
POLQ O75417 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC18A3 Q16572 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8377504 0.89 KDM4E (0.45) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL15501013 0.85 OPRM1 (0.42) KDM4ELMNASLC6A2SLC6A4TSHR
SCHEMBL13968327 0.84 TSHR (0.39) ESR2LMNASLC6A2TP53TSHR
SCHEMBL10109594 0.83 MEN1 (0.37) KDM4ESMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL20385000 0.82 SLC6A2 (0.40) SLC6A2SLC6A4CCR5
SCHEMBL10696260 0.79 ESR2 (0.53) ESR2SMN1; SMN2LMNARAB9ATP53
SCHEMBL10109493 0.79 CCR5 (0.33) KDM4ESLC6A2SLC6A4CCR5ALDH1A1
SCHEMBL24597681 0.79 ESR2 (0.65) ESR2SMN1; SMN2LMNARAB9ATP53
SCHEMBL19937427 0.79 ESR2 (0.65) ESR2SMN1; SMN2LMNARAB9ATP53
SCHEMBL14037101 0.77 SLC6A2 (0.37) SLC6A2SLC6A4CCR5

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
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed