SCHEMBL11807403

SCHEMBL11807403

CC1(C)CCCC(C)(C)N1Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CHEK1 O14757 1/20 0.42
▸ SIGMAR1 Q99720 3/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ AMPD2 Q01433 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CXCR3 P49682 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
SCHEMBL11811379 0.85 KMT2A (0.47) ALDH1A1CHEK1SIGMAR1TRPA1AMPD2
SCHEMBL8204263 0.83 ALDH1A1 (0.47) ALDH1A1CHEK1SIGMAR1LMNACXCR3
SCHEMBL11119636 0.83 CHEK1 (0.44) ALDH1A1CHEK1POLBNPSR1
SCHEMBL16365587 0.83 CHEK1 (0.41) CHEK1LMNA
SCHEMBL11814837 0.82 GAA (0.44) CHEK1SIGMAR1AMPD2POLBLMNA
SCHEMBL11811596 0.81 SIGMAR1 (0.50) KDM4EALDH1A1CHEK1SIGMAR1AMPD2
SCHEMBL11813133 0.80 SIGMAR1 (0.47) KDM4EALDH1A1SIGMAR1MAPTSMN1; SMN2
SCHEMBL12157029 0.79 CHEK1 (0.39) ALDH1A1CHEK1POLBMAPTLMNA
SCHEMBL16367847 0.79 LPL (0.44) CHEK1
SCHEMBL3144024 0.78 AMPD2 (0.40) KDM4EALDH1A1SIGMAR1AMPD2MAPT

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-3975357-A SUBSTITUTED PIPERIDINES SANKYO COMPANY LIMITED (JA) 1976-08-17 — — US disclosed
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