SCHEMBL7147614

SCHEMBL7147614

Cc1ccccc1C1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.38
▸ DPP4 P27487 3/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ SLC6A9 P48067 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.37
▸ PRCP P42785 2/20 0.37
▸ ACHE P22303 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EED O75530 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
SCHEMBL6439086 0.81 TACR1 (0.44) TACR1PRCPTRPV1
SCHEMBL6439088 0.81 TACR1 (0.44) TACR1PRCPTRPV1
SCHEMBL6442797 0.74 ALDH1A1 (0.45) TACR1DPP4SLC6A9SLC6A5NOTUM
SCHEMBL6439512 0.73 ALDH1A1 (0.43) TACR1DPP4SLC6A9SLC6A5NOTUM
SCHEMBL6440874 0.71 ALDH1A1 (0.41) TACR1DPP4NOTUM
SCHEMBL6443905 0.70 HIF1A (0.45) TACR1TRPV1
SCHEMBL6443902 0.70 HIF1A (0.45) TACR1TRPV1
SCHEMBL8689391 0.70 ADRB1 (0.47) TACR1DPP4NOTUMTRPV1MEN1
SCHEMBL6442208 0.69 RHOA (0.48) TACR1
SCHEMBL6442205 0.69 RHOA (0.48) TACR1

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-1360184-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-12 — — EP disclosed
WO-2002062784-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-15 — — WO disclosed
Send feedback