SCHEMBL2963587

SCHEMBL2963587

CCCCOC(=O)N1CC(c2nc(C3CC(c4ccc(C(F)(F)F)cc4)CN(C(=O)N4CCOCC4)C3)no2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.49
CNR1 P21554 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AKR1C3 P42330 1/20 0.38
TACR1 P25103 1/20 0.36
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
P2RY12 Q9H244 1/20 0.35
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL640452 0.87 F2R (0.51) F2RCNR1TMEM97POLBSMN1; SMN2
SCHEMBL640354 0.85 F2R (0.56) F2RCNR1TMEM97POLBSMN1; SMN2
SCHEMBL10234097 0.84 F2R (0.59) F2RCNR1TMEM97POLBSMN1; SMN2
SCHEMBL10234104 0.84 F2R (0.56) F2RCNR1TMEM97POLBSMN1; SMN2
SCHEMBL10234806 0.83 F2R (0.54) F2RCNR1TMEM97POLBSMN1; SMN2
SCHEMBL1581132 0.82 F2R (0.53) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL642168 0.82 F2R (0.60) F2RCNR1TMEM97POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL641920 0.81 F2R (0.52) F2RCNR1TMEM97POLBAKR1C3
SCHEMBL1581247 0.81 F2R (0.54) F2RCNR1TMEM97AKR1C3TACR1
SCHEMBL641880 0.80 F2R (0.53) F2RCNR1TMEM97POLBLMNA

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-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed