Sugi Predict

Sugi Predict / Compounds / SCHEMBL8645359

SCHEMBL8645359

SCHEMBL8645359

CCC(c1c[nH]c2ccc(-n3cnnc3)cc12)C1CNCCC1NCc1ccoc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 20/20 0.51
▸ HTR1B P28222 20/20 0.51
▸ HTR1A P08908 1/20 0.34
▸ HTR2A P28223 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
SCHEMBL8662154 0.79 HTR1D (0.49) HTR1DHTR1B
SCHEMBL8645363 0.78 HTR1D (0.65) HTR1DHTR1B
SCHEMBL8648669 0.75 HTR1D (0.42) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8649554 0.74 HTR1D (0.50) HTR1DHTR1B
SCHEMBL8651312 0.72 HTR1D (0.52) HTR1DHTR1B
SCHEMBL8697124 0.71 HTR1D (0.42) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8647370 0.70 HTR1D (0.43) HTR1DHTR1B
SCHEMBL8662141 0.68 HTR1D (0.47) HTR1DHTR1B
SCHEMBL8696709 0.68 HTR1D (0.37) HTR1DHTR1B
SCHEMBL8664129 0.68 HTR1D (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 — — US claimed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 — — US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 — — US disclosed