SCHEMBL582587

SCHEMBL582587

O=C(NCc1cc(C2CC2)ccc1F)[C@](O)(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.36
RIPK1 Q13546 1/20 0.36
POLB P06746 1/20 0.35
CCR2 P41597 6/20 0.34
RORC P51449 1/20 0.34
KMT2A Q03164 1/20 0.34
DHODH Q02127 1/20 0.34
TACR1 P25103 1/20 0.33
KLKB1 P03952 1/20 0.33
PDK2 Q15119 1/20 0.33
F2 P00734 1/20 0.33
CHRM4 P08173 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5522553 1.00 POLQ (0.36) POLQRIPK1POLBCCR2RORC
SCHEMBL583527 1.00 POLQ (0.36) POLQRIPK1POLBCCR2RORC
SCHEMBL13255843 0.94 RIPK1 (0.38) POLQRIPK1POLBCCR2RORC
SCHEMBL5510049 0.85 POLB (0.38) POLBCCR2KMT2ADHODHTACR1
SCHEMBL5518614 0.85 POLB (0.38) POLBCCR2KMT2ADHODHTACR1
SCHEMBL5513050 0.85 POLB (0.38) POLBCCR2KMT2ADHODHTACR1
SCHEMBL5521185 0.83 KMT2A (0.44) RIPK1POLBKMT2A
SCHEMBL582894 0.83 KMT2A (0.44) RIPK1POLBKMT2A
SCHEMBL582690 0.83 KMT2A (0.44) RIPK1POLBKMT2A
SCHEMBL4308440 0.82 CETP (0.36) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755572-B1 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-02-15 EP claimed
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US claimed