SCHEMBL10817028

SCHEMBL10817028

c1ccc(CCN=C2CCCN2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.40
ALB P02768 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
MIF P14174 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2A13 Q16696 1/20 0.38
EPAS1 Q99814 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7334494 0.82 CRHBP (0.38) TAAR1NPSR1ALDH1A1ALBBCHE
SCHEMBL7334489 0.82 CRHBP (0.38) TAAR1NPSR1ALDH1A1ALBBCHE
SCHEMBL11851101 0.79 C3AR1 (0.45) TAAR1ALDH1A1CYP2A6NISCHCYP1A2
SCHEMBL11839330 0.79 TAAR1 (0.35) TAAR1ALDH1A1CYP2A6NISCHC3AR1
SCHEMBL7628157 0.78 SIGMAR1 (0.47)
Hydrochloric Acid SCHEMBL11738254 0.78 C3AR1 (0.44) TAAR1KDM4EALDH1A1MIFMAOB
Hydrochloric Acid SCHEMBL11846468 0.78 C3AR1 (0.44) TAAR1KDM4ENPSR1ALDH1A1CYP2A6
SCHEMBL7626970 0.77 CRHBP (0.37) NPSR1ALDH1A1TRPA1MIFHSD11B1
SCHEMBL7621473 0.76 C3AR1 (0.42) TAAR1MAOBC3AR1
SCHEMBL7334086 0.76 CRHBP (0.36) NPSR1ALDH1A1HSD11B1MAPT

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-0117771-B1 IMINO-2 PYRROLIDINES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE LABORATOIRES JACQUES LOGEAIS Société dite: (FR) 1987-11-11 EP disclosed
EP-0117771-A1 Imino-2 pyrrolidines, process for their preparation and their therapeutical use LABORATOIRES JACQUES LOGEAIS Société dite: (FR) 1984-09-05 EP disclosed