SCHEMBL7410643

SCHEMBL7410643

CCNC1CCc2[nH]c3c(F)cccc3c2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.44
DRD3 P35462 5/20 0.44
DRD4 P21917 1/20 0.41
RB1 P06400 2/20 0.37
MAPK10 P53779 1/20 0.36
RIPK1 Q13546 1/20 0.36
NR2E1 Q9Y466 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 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
SCHEMBL11338802 0.90 MTNR1A (0.42) DRD2DRD3RB1
SCHEMBL7413287 0.82 APOL1 (0.37) DRD2DRD3DRD4HTR1AHTR1D
SCHEMBL7407184 0.82 TMEM97 (0.41) DRD2DRD3
Hydrochloric Acid SCHEMBL7406790 0.81 TMEM97 (0.40) DRD2DRD3
SCHEMBL7409813 0.81 MTNR1A (0.47) RB1HTR1AHTR1DHTR1B
SCHEMBL7416460 0.79 RB1 (0.57) RB1NR2E1HTR1AHTR1DHTR1B
SCHEMBL20542229 0.76 NR2E1 (0.60) DRD2DRD3MAPK10RIPK1NR2E1
SCHEMBL7413545 0.75 HTR1A (0.47) HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7408528 0.74 HTR1A (0.46) HTR1AHTR1DHTR1B
SCHEMBL7406537 0.72 CGAS (0.42) DRD2DRD3DRD4HTR1AHTR1D

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 4 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
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed