SCHEMBL7668376

SCHEMBL7668376

Cc1ncc(C(Cc2ccc(C#N)cc2)N2CCNCC2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.44
SLC6A2 P23975 6/20 0.44
OPRD1 P41143 1/20 0.40
USP2 O75604 1/20 0.38
TRIM33 Q9UPN9 2/20 0.36
TRIM24 O15164 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HTR6 P50406 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
SCHEMBL6913123 0.85 TRIM24 (0.35) SLC6A4SLC6A2TRIM33TRIM24CYP19A1
SCHEMBL7134263 0.79 HRH3 (0.46) SLC6A4SLC6A2OPRD1USP2CYP19A1
Hydrochloric Acid SCHEMBL7484921 0.78 HRH3 (0.45) SLC6A4SLC6A2OPRD1USP2CYP19A1
SCHEMBL7658608 0.76 FNTA (0.52) TSHRSMN1; SMN2
SCHEMBL444433 0.75 FNTA (0.50)
SCHEMBL7837592 0.75 FNTA (0.45) SLC6A4SLC6A2TRIM33
Hydrochloric Acid SCHEMBL8161653 0.74 FNTA (0.49)
Hydrochloric Acid SCHEMBL7834494 0.74 FNTA (0.44) SLC6A4SLC6A2TRIM33
SCHEMBL7528341 0.74 FNTA (0.59) SLC6A4SLC6A2HRH2HRH1HRH3
Hydrochloric Acid SCHEMBL7628308 0.73 FNTA (0.41) SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US disclosed