SCHEMBL7965014

SCHEMBL7965014

O=C(OC1(c2cnc3ccccc3c2)CCN(CCCOc2ccc(Cl)cc2Cl)CC1)C(=O)OC1(c2cnc3ccccc3c2)CCN(CCCOc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
HPGD P15428 5/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
MEN1 O00255 1/20 0.41
KCNA5 P22460 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7963819 0.86 MAOA (0.46) OPRM1OPRD1MAPTMAOAMAOB
Oxalic Acid SCHEMBL7965012 0.86 KDM4E (0.46) OPRM1OPRD1MAOAMAOBALDH1A1
SCHEMBL7966533 0.84 KDM4E (0.47) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7966503 0.81 MEN1 (0.46) ALDH1A1KMT2ATSHRMEN1KDM4E
SCHEMBL7964394 0.73 OPRL1 (0.43) OPRM1OPRD1HTR7SLC6A4
SCHEMBL7964392 0.72 CYP1A2 (0.58) MAPTNPSR1KMT2AUSP2MEN1
SCHEMBL7964386 0.71 LMNA (0.39) OPRM1OPRD1HPGDMAPTNPSR1
Oxalic Acid SCHEMBL7966526 0.70 KDM4E (0.54) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7964899 0.70 ALDH1A1 (0.50) MAPTLMNAALDH1A1KMT2ATSHR
SCHEMBL7962754 0.69 ALDH1A1 (0.56) LMNAALDH1A1KMT2AMEN1SMN1; SMN2

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 3 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
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed