SCHEMBL7965119

SCHEMBL7965119

OC(CCN1CCC(O)(c2cnc3ccccc3n2)CC1)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRL1 P41146 2/20 0.39
OPRD1 P41143 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CCR1 P32246 3/20 0.36
HTR1A P08908 3/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35

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
SCHEMBL7964394 0.86 OPRL1 (0.43) OPRM1OPRL1OPRD1CYP1A2CYP2D6
SCHEMBL7965117 0.83 CYP1A2 (0.58) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL7965112 0.81 LMNA (0.39) OPRM1OPRD1MAPTLMNAKDM4E
SCHEMBL7963401 0.80 ADRB2 (0.33) OPRM1OPRL1LMNAKDM4EMEN1
SCHEMBL7962701 0.79 LTA4H (0.36) OPRM1OPRL1OPRD1LMNAMEN1
SCHEMBL7962212 0.79 ALDH1A1 (0.41) OPRM1OPRL1OPRD1MAPTLMNA
SCHEMBL7964943 0.79 LTA4H (0.33) OPRM1OPRL1CCR1HTR1ADRD2
SCHEMBL7962748 0.78 PDE10A (0.39) OPRL1MAPTMEN1KMT2ACCR1
SCHEMBL7965175 0.74 OPRL1 (0.47) OPRM1OPRL1CCR1HTR1ADRD2
Sulfuric Acid SCHEMBL7968961 0.72 DRD3 (0.37) HTR1ADRD2DRD3

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 2 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