SCHEMBL7970948

SCHEMBL7970948

CC(C)(C)Oc1cccc2nc(C3CCNCC3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 7/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2C P28335 3/20 0.38
KCNH2 Q12809 1/20 0.37
JUND P17535 1/20 0.37
FOSB P53539 1/20 0.37
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 6/20 0.36
HTR6 P50406 3/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ACP1 P24666 1/20 0.34
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7967205 0.78 ALK (0.38) HTR1AHTR2CJUNDFOSBSLC6A2
SCHEMBL7965946 0.74 CDK1 (0.40) MEN1KMT2AHTR1AHTR2CKCNH2
Hydrochloric Acid SCHEMBL29862880 0.74 KMT2A (0.46) MEN1KMT2AHTR2CHTR6NPC1
SCHEMBL7969679 0.71 MEN1 (0.52) MEN1KMT2AHTR1AHTR2CJUND
SCHEMBL21000902 0.70 MEN1 (0.57) MEN1KMT2AHTR1AHTR2CSLC6A4
SCHEMBL29733200 0.70 MEN1 (0.57) MEN1KMT2AHTR1AHTR2CSLC6A4
SCHEMBL7955565 0.69 BCHE (0.51) HTR1AHTR2CJUNDFOSBSLC6A2
SCHEMBL7965941 0.69 PARP1 (0.54) HTR2CJUNDFOSB
SCHEMBL28191156 0.68 MEN1 (0.40) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL23858239 0.67 HTR2C (0.40) MEN1KMT2AHTR1AHTR2CKCNH2

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-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed