SCHEMBL8821609

SCHEMBL8821609

COc1ccc(CN2CCC(N)CC2)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
KDM4E B2RXH2 3/20 0.62
MAPT P10636 2/20 0.62
ALOX15 P16050 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
OPRM1 P35372 1/20 0.51
OPRL1 P41146 1/20 0.51
SLC6A4 P31645 1/20 0.47
GNAI3 P08754 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL8110360 0.82 CHRM3 (0.66) MAPTMEN1KMT2AGNAI3CHRM2
SCHEMBL6941984 0.82 CHRM3 (0.66) MAPTMEN1KMT2AGNAI3CHRM2
SCHEMBL807236 0.82 KDM4E (0.68) LMNAKDM4EMAPTALOX15HTT
Hydrochloric Acid SCHEMBL11539098 0.81 CHRM3 (0.64) MAPTMEN1KMT2AGNAI3CHRM2
SCHEMBL20460271 0.80 KDM4E (0.65) LMNAKDM4EMAPTALOX15HTT
SCHEMBL24162993 0.78 KDM4E (0.66) LMNAKDM4EMAPTALOX15HTT
SCHEMBL2226923 0.76 ALDH1A1 (0.62) LMNAKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6496988 0.76 CXCR4 (0.58) MEN1KMT2AGNAI3CHRM2CHRM4
SCHEMBL20460351 0.76 ALDH1A1 (0.72) LMNAKDM4EMAPTALOX15HTT
SCHEMBL4300937 0.76 KDR (0.50) KDM4EACHE

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-1997045119-A1 USE OF SUBSTANCE P ANTAGONISTS FOR TREATING SOCIAL PHOBIA NOVARTIS AG (CH) 1997-12-04 WO disclosed