SCHEMBL7969474

SCHEMBL7969474

Cc1ccc(OCCC(O)N2CCC(O)(c3cnc4ccccc4c3)CC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
AR P10275 2/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
OPRM1 P35372 4/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
OPRL1 P41146 4/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7966948 0.91 OPRM1 (0.39) RAB9AARALDH1A1MEN1KMT2A
SCHEMBL7200716 0.91 KDM4E (0.38) ALDH1A1MEN1KMT2ALMNALTA4H
SCHEMBL7953484 0.90 ABCB1 (0.38) MAPTARDRD2DRD3
SCHEMBL7953343 0.90 ALDH1A1 (0.46) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL7953451 0.89 LTA4H (0.38) ALDH1A1MEN1KMT2ALMNALTA4H
SCHEMBL7969551 0.88 MEN1 (0.41) ALDH1A1MEN1KMT2ALMNALTA4H
SCHEMBL7963015 0.88 OPRM1 (0.44) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL7962978 0.88 PPARG (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7965195 0.87 MEN1 (0.38) ALDH1A1MEN1KMT2ALMNALTA4H
SCHEMBL7966382 0.87 OPRL1 (0.43) MAPTALDH1A1MEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed