SCHEMBL7962056

SCHEMBL7962056

Cc1ccc(OCCCCl)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 7/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPT P10636 5/20 0.51
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
GLA P06280 1/20 0.48
S1PR4 O95977 1/20 0.48
POLB P06746 2/20 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
SCHEMBL5825529 0.92 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL9011867 0.90 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL9011659 0.88 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL9011602 0.88 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL891407 0.87 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL12428 0.84 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL9011759 0.84 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL6110605 0.82 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL14956919 0.82 ALDH1A1 (0.55) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A
SCHEMBL11963241 0.82 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1RAB9ANPC1KMT2A

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 5 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
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO 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