SCHEMBL9564604

SCHEMBL9564604

CC(=CCN1CCNCC1)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
SIGMAR1 Q99720 1/20 0.41
ADRB1 P08588 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL9564601 1.00 RXFP1 (0.49) RXFP1SIGMAR1ADRB1CHRM3ALDH1A1
SCHEMBL9564599 0.84 LMNA (0.48) SIGMAR1ADRB1LMNA
SCHEMBL9564600 0.84 LMNA (0.48) SIGMAR1ADRB1LMNA
SCHEMBL11492529 0.81 HTR6 (0.43) SIGMAR1ALDH1A1LMNA
SCHEMBL11493511 0.81 HTR6 (0.43) SIGMAR1ALDH1A1LMNA
SCHEMBL11493943 0.79 CYP1A2 (0.38) SIGMAR1MAPTLMNA
SCHEMBL11493946 0.79 CYP1A2 (0.38) SIGMAR1MAPTLMNA
SCHEMBL13539860 0.79 CHRNB2 (0.49) SIGMAR1
SCHEMBL9557431 0.77 KDM4E (0.54) SIGMAR1ALDH1A1
SCHEMBL11487704 0.76 HTR1A (0.41)

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
EP-0551617-A2 Cinnamyl piperazine derivatives method of manufacturing the same and agricultural/horticultural fungicides containing cinnamyl piperazine derivatives UBE INDUSTRIES, LTD. (JP) 1993-07-21 EP disclosed