SCHEMBL7200720

SCHEMBL7200720

O[C@H](COc1ccc2ccccc2c1)CN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.53
POLB P06746 3/20 0.52
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 2/20 0.48
UBE2N P61088 1/20 0.48
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.47
ABCB1 P08183 5/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL27193282 1.00 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTPOLBPRMT5
SCHEMBL7962982 0.93 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EMAPTPOLBPRMT5
SCHEMBL7969553 0.92 L3MBTL1 (0.55) SMN1; SMN2KDM4EPRMT5WDR77ABCB1
SCHEMBL7953287 0.91 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTPOLBPRMT5
SCHEMBL7969477 0.90 MAPT (0.50) SMN1; SMN2KDM4EMAPTPRMT5WDR77
SCHEMBL7953572 0.90 KMT2A (0.54) SMN1; SMN2KDM4EMAPTPRMT5WDR77
SCHEMBL7953454 0.90 PRMT5 (0.47) SMN1; SMN2KDM4EPRMT5WDR77USP2
SCHEMBL7969310 0.90 L3MBTL1 (0.51) SMN1; SMN2KDM4EPRMT5WDR77ABCB1
SCHEMBL7965174 0.90 KMT2A (0.52) SMN1; SMN2MAPTPRMT5WDR77MAPK1
SCHEMBL7966950 0.90 TSHR (0.56) SMN1; SMN2KDM4EMAPTPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004207-A1 USE OF COMPOUNDS WHICH ACTIVATE A 5-HT RECEPTOR TO TREAT URINARY INCONTINENCE SYNAPTIC PHARMACEUTICALS CORPORATION 2003-01-02 US disclosed
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