SCHEMBL7970239

SCHEMBL7970239

CC1(C)Cc2cccc(OCCCN3CCC(O)(c4cnc5ccccc5c4)CC3)c2O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PTBP1 P26599 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCOLN3 Q8TDD5 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
SCHEMBL7966346 0.81 CYP2D6 (0.49) LMNAMEN1KMT2AKDM4EPOLB
SCHEMBL7965519 0.80 ALDH1A1 (0.51) GAALMNAMEN1KMT2AKDM4E
SCHEMBL7964899 0.78 ALDH1A1 (0.50) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL7962754 0.78 ALDH1A1 (0.56) LMNAMEN1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7816305 0.78 SMN1; SMN2 (0.53) KMT2AKDM4ESMN1; SMN2
Oxalic Acid SCHEMBL7966500 0.77 KMT2A (0.52) LMNAMEN1KMT2AKDM4EPOLB
SCHEMBL7967101 0.77 HTR1A (0.40)
SCHEMBL7963819 0.77 MAOA (0.46) NPC1RAB9ALMNAMAPT
SCHEMBL7964658 0.75 MEN1 (0.48) NPC1RAB9ALMNAMEN1KMT2A
Oxalic Acid SCHEMBL7966526 0.75 KDM4E (0.54) NPC1RAB9ALMNAMEN1KMT2A

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 4 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
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS 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