SCHEMBL7200725

SCHEMBL7200725

OC(CCN1CCC(O)(c2cnc3ccccc3c2)CC1)Oc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.41
LTA4H P09960 2/20 0.40
CCR1 P32246 4/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.39
TACR2 P21452 1/20 0.38
OPRM1 P35372 2/20 0.38
HTR1A P08908 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL7962985 0.93 LTA4H (0.39) OPRL1LTA4HCCR1KDM4EKMT2A
SCHEMBL7969555 0.92 OPRL1 (0.45) OPRL1LTA4HCCR1KDM4EKMT2A
SCHEMBL7953290 0.92 LTA4H (0.38) OPRL1LTA4HCCR1KDM4EKMT2A
SCHEMBL7953579 0.91 CCR1 (0.41) OPRL1LTA4HCCR1KMT2ATACR2
SCHEMBL7969481 0.91 LTA4H (0.38) OPRL1LTA4HCCR1KMT2ATACR2
SCHEMBL7966953 0.90 OPRL1 (0.39) OPRL1LTA4HCCR1KMT2ATACR2
SCHEMBL7969312 0.90 LTA4H (0.45) OPRL1LTA4HCCR1KDM4EKMT2A
SCHEMBL7953348 0.90 MEN1 (0.47) OPRL1LTA4HCCR1KMT2AOPRM1
SCHEMBL7953456 0.90 OPRL1 (0.39) OPRL1LTA4HCCR1KDM4EKMT2A
SCHEMBL7965175 0.90 OPRL1 (0.47) OPRL1CCR1OPRM1HTR1A

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-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
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