SCHEMBL5248647

SCHEMBL5248647

O=C(NCC1(N2CCNCC2)Cc2ccccc2C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 12/20 0.49
TACR1 P25103 3/20 0.45
HCN4 Q9Y3Q4 6/20 0.44
CHRM3 P20309 2/20 0.43
HCN3 Q9P1Z3 1/20 0.42
HCN2 Q9UL51 1/20 0.42
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
RXFP1 Q9HBX9 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
Hydrochloric Acid SCHEMBL4834372 0.99 HCN1 (0.48) HCN1TACR1HCN4CHRM3HCN3
SCHEMBL4835318 0.81 HCN1 (0.51) HCN1TACR1HCN4
SCHEMBL5247333 0.74 TACR1 (0.58) TACR1CHRM3
Hydrochloric Acid SCHEMBL4837314 0.74 TACR1 (0.57) TACR1CHRM3
SCHEMBL8824360 0.73 TACR1 (0.63) TACR1KCNH2
Hydrochloric Acid SCHEMBL9391402 0.73 TACR1 (0.61) TACR1KCNH2
SCHEMBL5247098 0.73 TACR1 (0.56) TACR1KCNH2
SCHEMBL5248023 0.72 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL4827359 0.72 TACR1 (0.55) TACR1KCNH2
Hydrochloric Acid SCHEMBL4830251 0.71 TACR1 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006103342-A9 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-10-25 WO disclosed
EP-1707564-B1 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-09-12 EP disclosed
WO-2006103342-A2 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2006-10-05 WO disclosed
EP-1707564-A2 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-10-04 EP disclosed