SCHEMBL6214920

SCHEMBL6214920

Cc1c(CC(=O)Nc2cccc(C(F)(F)F)c2)ccnc1C1=CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 3/20 0.43
HTR2C P28335 2/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 2/20 0.43
WNT3A P56704 1/20 0.43
RET P07949 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41

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
SCHEMBL6212836 0.87 ERN1 (0.42) ERN1MAPTSMN1; SMN2TP53LMNA
SCHEMBL6241375 0.82 WNT3A (0.49) SMN1; SMN2TP53WNT3AMEN1KMT2A
SCHEMBL6214332 0.82 TP53 (0.44) SMN1; SMN2TP53LMNAWNT3AMEN1
SCHEMBL6212859 0.78 DRD2 (0.45) WNT3AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6215690 0.73 WNT3A (0.47) SMN1; SMN2TP53WNT3AMEN1KMT2A
SCHEMBL6240064 0.72 WNT3A (0.44) MAPTTP53LMNAHTR2CWNT3A
SCHEMBL6214253 0.72 ALDH1A1 (0.47) MAPTSMN1; SMN2LMNARECQLMEN1
SCHEMBL6210132 0.72 POLB (0.43) MAPTTP53HTTMEN1KMT2A
SCHEMBL6798524 0.71 LMNA (0.45) ERN1MAPTSMN1; SMN2LMNAHTR2C
SCHEMBL6216155 0.71 TRPV1 (0.44) MAPTSMN1; SMN2MEN1KMT2A

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-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP claimed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO claimed