SCHEMBL9965475

SCHEMBL9965475

O=C(Nc1ccccc1Cc1ccc(C(F)(F)F)cc1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.53
RXFP1 Q9HBX9 7/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.47
KLKB1 P03952 1/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
UBE2M P61081 1/20 0.43
TACR1 P25103 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9965381 0.83 POLB (0.53) RXFP1MEN1KMT2ATSHRPOLB
SCHEMBL1817247 0.79 POLB (0.61) RXFP1MEN1KMT2APOLBSIRT2
SCHEMBL640944 0.77 GAA (0.62) F10RXFP1MEN1KMT2ATSHR
SCHEMBL24529989 0.76 F10 (0.58) F10RXFP1MEN1KMT2ATSHR
SCHEMBL4035356 0.75 ALDH1A1 (0.64) F10
Hydrochloric Acid SCHEMBL23245936 0.75 F10 (0.57) F10RXFP1SIRT2
SCHEMBL16085543 0.75 F10 (0.51) F10MEN1KMT2APOLBGAA
SCHEMBL7363345 0.74 SIRT2 (0.50) RXFP1MEN1KMT2ATSHRPOLB
SCHEMBL5549681 0.72 CFTR (0.46) RXFP1MEN1KMT2APOLBKLKB1
SCHEMBL13588433 0.72 SMN1; SMN2 (0.59) RXFP1MEN1KMT2ATSHRPOLB

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
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed