SCHEMBL11255002

SCHEMBL11255002

CN1CCC(C(=O)O)(c2ccccc2Oc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SLC6A4 P31645 2/20 0.42
SLC22A1 O15245 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
RECQL P46063 1/20 0.40
CHRM5 P08912 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM1 P11229 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11246081 0.89 MMP1 (0.45) OPRM1SCN1ASCN2ASCN3ASLC6A4
SCHEMBL11241289 0.88 KMT2A (0.44) ALDH1A1
SCHEMBL11468367 0.83 SCN1A (0.48) OPRM1SCN1ASCN2ASCN3ASLC6A4
SCHEMBL11255005 0.83 SCN1A (0.41) OPRM1SCN1ASCN2ASCN3ASLC6A4
SCHEMBL11239680 0.82 SLC6A2 (0.46) OPRM1SLC6A4SIGMAR1L3MBTL1ALDH1A1
Oxalic Acid SCHEMBL11468650 0.81 SCN1A (0.46) OPRM1SCN1ASCN2ASCN3ASLC6A4
Bromide SCHEMBL11471759 0.81 SLC6A2 (0.45) OPRM1SLC6A4SIGMAR1L3MBTL1ALDH1A1
SCHEMBL11471019 0.81 SCN1A (0.46) OPRM1SCN1ASCN2ASCN3ASLC6A4
SCHEMBL11500046 0.81 KDM4E (0.43) OPRM1SLC6A4SLC22A1ADRA1AOPRD1
SCHEMBL11478119 0.80 OPRM1 (0.48) OPRM1SCN1ASCN2ASCN3ASLC6A4

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-4198417-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US claimed
EP-0016261-B1 SPIRO(DIBENZ(B,F)OXEPIN-PIPERIDINES) AND METHODS OF PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-29 EP disclosed
EP-0016261-A1 Spiro(dibenz(b,f)oxepin-piperidines) and methods of preparing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-01 EP disclosed
US-4198418-A ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
US-4198417-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed