SCHEMBL25567359

SCHEMBL25567359

CC1(C)CCN(Cc2ccc(N)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
ALDH1A1 P00352 3/20 0.61
CXCR3 P49682 1/20 0.49
LTA4H P09960 1/20 0.48
HRH3 Q9Y5N1 2/20 0.45
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GBA1 P04062 1/20 0.43
POLB P06746 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
OPRL1 P41146 1/20 0.41
NCF1 P14598 1/20 0.41

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
SCHEMBL17108495 0.86 LMNA (0.59) LMNAALDH1A1CXCR3LTA4HHRH3
SCHEMBL16215680 0.83 ALDH1A1 (0.61) LMNAALDH1A1LTA4HHRH3POLB
SCHEMBL20804051 0.82 ALDH1A1 (0.54) LMNAALDH1A1LTA4HHRH3CYP3A4
SCHEMBL10690328 0.82 LMNA (0.80) LMNAALDH1A1HRH3POLBSIGMAR1
SCHEMBL1427542 0.81 ALDH1A1 (0.58) LMNAALDH1A1LTA4HHRH3CYP3A4
SCHEMBL4259787 0.81 ALDH1A1 (0.61) LMNAALDH1A1CXCR3HRH3CYP3A4
SCHEMBL12013906 0.81 SIGMAR1 (0.65) LMNAALDH1A1LTA4HCYP3A4HSD17B10
SCHEMBL6205194 0.80 ALDH1A1 (0.59) LMNAALDH1A1CXCR3HRH3HRH4
Ammonia Solution, Strong SCHEMBL14735243 0.79 SIGMAR1 (0.63) LMNAALDH1A1LTA4HCYP3A4HSD17B10
SCHEMBL3153045 0.78 ALDH1A1 (0.88) LMNAALDH1A1HRH3POLBHRH4

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
WO-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 WO disclosed