SCHEMBL5634909

SCHEMBL5634909

O=C(O)N1CCC(c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
F2R P25116 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL14514085 0.88 GPR119 (0.48) CNR1F2RTMEM97
SCHEMBL5634437 0.86 LMNA (0.47) LMNAALOX15TSHRMAPK1TUBB4A
SCHEMBL6154577 0.86 ALDH1A1 (0.46) LMNATSHRMAPK1PPARGPPARA
SCHEMBL5634381 0.83 TUBB4A (0.52) LMNAALOX15TSHRMAPK1TUBB4A
SCHEMBL5634878 0.83 HTT (0.47) LMNAALOX15TSHRMAPK1TUBB4A
SCHEMBL5634668 0.81 LMNA (0.50) LMNAALOX15TSHRMAPK1TUBB4A
SCHEMBL5634552 0.80 LMNA (0.49) LMNAALOX15TSHRMAPK1TUBB4A
SCHEMBL3610721 0.80 TUBB4A (0.41) LMNAALOX15TSHRMAPK1PPARG
SCHEMBL5633750 0.78 LMNA (0.47) LMNAALOX15TSHRMAPK1TUBB4A
SCHEMBL5633890 0.76 OGA (0.44) CNR1LMNAMAPK1TUBB4ATUBB

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-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed