SCHEMBL7914799

SCHEMBL7914799

CN(Cc1c[nH]c2ccccc12)[C@H]1CC[C@@H](CCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.61
HTR1B P28222 19/20 0.61
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL7914804 1.00 HTR1D (0.61) HTR1DHTR1BALDH1A1LMNAMAPT
SCHEMBL7914796 0.91 HTR1D (0.74) HTR1DHTR1B
SCHEMBL7914794 0.91 HTR1D (0.74) HTR1DHTR1B
SCHEMBL7914908 0.89 HTR1D (0.56) HTR1DHTR1B
SCHEMBL7914910 0.89 HTR1D (0.56) HTR1DHTR1B
SCHEMBL7914819 0.88 HTR1D (0.58) HTR1DHTR1B
SCHEMBL7914817 0.88 HTR1D (0.58) HTR1DHTR1B
SCHEMBL7908163 0.86 HTR1D (0.63) HTR1DHTR1B
SCHEMBL7908166 0.86 HTR1D (0.63) HTR1DHTR1B
SCHEMBL7908082 0.86 HTR1D (0.77) HTR1DHTR1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211219-B1 DRUGS, ANALGESICS AND AGONISTS MERCK SHARP & DOHME LTD. (GB) 2001-04-03 US disclosed