SCHEMBL7415593

SCHEMBL7415593

CC(=O)NC1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL7415569 0.81 CGAS (0.45) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL7413980 0.81 DRD2 (0.36) HTR1AHTR1DHTR1B
SCHEMBL7406266 0.75 NR2E1 (0.55) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL7414253 0.74 HTR1A (0.42) HTR1AHTR1DHTR1B
SCHEMBL7979065 0.72 HTR1A (0.48) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL7410637 0.71 MTNR1A (0.53) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL7111545 0.70 MTNR1A (0.57) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL11423778 0.69 HTR1A (0.45) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL11284150 0.68 RB1 (0.64) MTNR1AMTNR1B
SCHEMBL16026808 0.68 SIRT1 (0.54) HTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US claimed
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed