SCHEMBL7408795

SCHEMBL7408795

CC(C)c1ccc(CCNC2CCc3[nH]c4c(F)cc(F)cc4c3C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VPS4B O75351 1/20 0.36
VCP P55072 1/20 0.36
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 1/20 0.34
RB1 P06400 2/20 0.34
PDE2A O00408 1/20 0.33
HTR1A P08908 2/20 0.33
SLC6A4 P31645 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32

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
SCHEMBL7407950 0.90 TMEM97 (0.39) VPS4BVCPPOLBKMT2AGRIN2B
SCHEMBL7416195 0.89 RB1 (0.41) VPS4BVCPPOLBKMT2AGRIN2B
SCHEMBL7411050 0.87 GRIN2B (0.47) POLBKMT2AGRIN2BRB1TMEM97
SCHEMBL7404555 0.86 DRD2 (0.39) POLBKMT2AGRIN2BHTR1DHTR1B
SCHEMBL7409894 0.82 HTR1D (0.46) POLBKMT2AHTR1DHTR1B
SCHEMBL7402703 0.81 HTR1A (0.35) VPS4BVCPHTR1ASLC6A4TMEM97
SCHEMBL7403611 0.80 POLB (0.35) POLBKMT2AHTR1A
SCHEMBL7407184 0.80 TMEM97 (0.41) POLBKMT2AGRIN2BSLC6A4TMEM97
SCHEMBL7414233 0.79 JAK2 (0.39) GRIN2BSIGMAR1
SCHEMBL7413287 0.79 APOL1 (0.37) HTR1ASLC6A4TMEM97HTR1DHTR1B

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