SCHEMBL7964392

SCHEMBL7964392

O[C@H](COc1ccc(Cl)cc1Cl)CN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ABCB1 P08183 10/20 0.47
MAPT P10636 2/20 0.45
F8 P00451 1/20 0.45
F5 P12259 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7965174 0.88 KMT2A (0.52) KMT2AABCB1MAPTSMN1; SMN2
SCHEMBL7965117 0.87 CYP1A2 (0.58) CYP1A2CYP2D6MEN1USP2HTT
SCHEMBL7963819 0.85 MAOA (0.46) MAPTTP53
SCHEMBL7953962 0.84 ABCB1 (0.54) CYP1A2CYP2D6MEN1USP2HTT
SCHEMBL7964394 0.84 OPRL1 (0.43) CYP1A2CYP2D6
SCHEMBL8019951 0.84 MEN1 (0.49) MEN1HTTKMT2ANPSR1ABCB1
SCHEMBL7969553 0.83 L3MBTL1 (0.55) CYP2D6MEN1KMT2AABCB1SMN1; SMN2
SCHEMBL7953297 0.83 LMNA (0.55) MEN1KMT2ANPSR1ABCB1MAPT
SCHEMBL7964386 0.83 LMNA (0.39) CYP1A2CYP2D6USP2KMT2ANPSR1
SCHEMBL7200720 0.82 SMN1; SMN2 (0.57) USP2HTTNPSR1ABCB1MAPT

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