SCHEMBL11338802

SCHEMBL11338802

CC(=O)NC1CCc2[nH]c3c(F)cccc3c2C1.CCNC1CCc2[nH]c3c(F)cccc3c2C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
RB1 P06400 1/20 0.37

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
SCHEMBL7409813 0.93 MTNR1A (0.47) MTNR1AMTNR1BRB1
SCHEMBL7410643 0.90 DRD2 (0.44) DRD2DRD3RB1
SCHEMBL7408004 0.77 APOL1 (0.43) MTNR1AMTNR1BRB1
SCHEMBL11344966 0.76 APOL1 (0.38) DRD2
SCHEMBL7413287 0.74 APOL1 (0.37) DRD2DRD3
SCHEMBL7406266 0.74 NR2E1 (0.55) MTNR1AMTNR1BRB1
SCHEMBL7407184 0.74 TMEM97 (0.41) DRD2DRD3
Hydrochloric Acid SCHEMBL7406790 0.73 TMEM97 (0.40) DRD2DRD3
SCHEMBL7660703 0.72 HTR1F (0.49) DRD2
SCHEMBL7658867 0.72 HTR1F (0.51) DRD2

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-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