SCHEMBL19670179

SCHEMBL19670179

CCN1CC[C@@H](C)N(C(=O)Nc2cccnc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.46
▸ HTR2A P28223 6/20 0.46
▸ HTR2B P41595 3/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ KIT P10721 2/20 0.40
▸ CSF1R P07333 3/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ CACNA1G O43497 2/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ CACNA1I Q9P0X4 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39

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
SCHEMBL19365254 0.90 HTR2C (0.47) HTR2CHTR2AHTR2BCYP1A2FAAH
SCHEMBL19670644 0.90 HSD17B10 (0.37) HTR2CHTR2AHTR2BCYP1A2UBE2M
SCHEMBL19670589 0.89 HTR2C (0.42) HTR2CHTR2AHTR2BCYP1A2FAAH
SCHEMBL19670135 0.87 MEN1 (0.41) HTR2CHTR2ACYP1A2UBE2MDCUN1D1
SCHEMBL19670212 0.87 RHOA (0.45) UBE2MDCUN1D1TRPV1MEN1KMT2A
SCHEMBL19365498 0.87 HTR2C (0.46) HTR2CHTR2AHTR2BCYP1A2FAAH
SCHEMBL19670629 0.87 CA2 (0.40) HTR2CHTR2ACYP1A2UBE2MDCUN1D1
SCHEMBL19670393 0.86 ABL1 (0.42) HTR2CHTR2ACACNA1GCACNA1HCACNA1I
SCHEMBL19670388 0.86 CACNA1G (0.46) HTR2CHTR2ACACNA1GCACNA1HCACNA1I
SCHEMBL19670214 0.86 TRPA1 (0.38) UBE2MDCUN1D1KITKDRMEN1

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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