SCHEMBL3814836

SCHEMBL3814836

CC(C)(C)c1cc(C(F)(F)F)nn1C(C=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 8/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 3/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
PTGS2 P35354 2/20 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
SCHEMBL4310650 0.92 HSD11B1 (0.41) HSD11B1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL27642603 0.74 MAPT (0.38) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL4020863 0.72 CCR1 (0.44) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6169409 0.71 HRH3 (0.41) MEN1KMT2AMAPTSMN1; SMN2CYP3A4
SCHEMBL6168372 0.70 GFER (0.42) MEN1KMT2AMAPTSMN1; SMN2CYP3A4
SCHEMBL4013769 0.70 MAPT (0.40) MEN1KMT2AMAPTMAPK1TSHR
SCHEMBL2875817 0.70 CCR1 (0.59) MAPTLMNACCR1ALDH1A1
SCHEMBL13739199 0.70 ALDH1A1 (0.53) MAPTSMN1; SMN2CYP3A4MAPK1TP53
SCHEMBL4019113 0.69 CCR1 (0.43) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL4314235 0.69 SMO (0.37) MEN1KMT2AMAPTLMNACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed