SCHEMBL17053073

SCHEMBL17053073

O=C(Nc1cccc(-c2ccccc2Cl)c1F)[C@@H]1CC(F)CN1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 6/20 0.42
▸ CTSC P53634 4/20 0.40
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CHRM1 P11229 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35

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
SCHEMBL29545547 1.00 CFD (0.42) CFDCTSCMEN1KMT2ACHRM1
SCHEMBL17023724 1.00 CFD (0.42) CFDCTSCMEN1KMT2ACHRM1
SCHEMBL18576565 1.00 CFD (0.42) CFDCTSCMEN1KMT2ACHRM1
SCHEMBL18555502 1.00 CFD (0.42) CFDCTSCMEN1KMT2ACHRM1
Hydrochloric Acid SCHEMBL17023497 0.99 CFD (0.41) CFDCTSCMEN1KMT2ACHRM1
Hydrochloric Acid SCHEMBL29544869 0.99 CFD (0.41) CFDCTSCMEN1KMT2ACHRM1
Hydrochloric Acid SCHEMBL17046887 0.99 CFD (0.41) CFDCTSCMEN1KMT2ACHRM1
SCHEMBL20329698 0.91 CFD (0.40) CFDMEN1KMT2ACHRM1POLB
SCHEMBL22355134 0.91 CFD (0.40) CFDMEN1KMT2ACHRM1POLB
SCHEMBL17039238 0.89 CFD (0.37) CFDCTSCCHRM1CHRM2CHRM3

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
WO-2015130838-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 — — WO disclosed
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