SCHEMBL10856538

SCHEMBL10856538

Nc1nnc(N2CCN(Cc3ccccc3)CC2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.58
▸ SIGMAR1 Q99720 3/20 0.53
▸ DRD4 P21917 3/20 0.53
▸ TSHR P16473 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ATM Q13315 1/20 0.46
▸ MC4R P32245 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL11194501 0.88 LMNA (0.51) GAADRD4TSHRHTTLMNA
SCHEMBL10851723 0.87 TNKS (0.50) GAATSHRHTTALDH1A1KDM4E
SCHEMBL11200656 0.87 SIGMAR1 (0.57) GAASIGMAR1DRD4TSHRHTT
SCHEMBL11197047 0.86 KDM4E (0.52) GAADRD4KDM4EMAPK1MAPT
SCHEMBL11205135 0.86 HTR1A (0.55) SIGMAR1DRD4ALDH1A1MEN1KMT2A
SCHEMBL11196110 0.86 ALDH1A1 (0.50) GAATSHRHTTLMNAALDH1A1
SCHEMBL11206897 0.84 ALDH1A1 (0.54) TSHRHTTLMNAALDH1A1KDM4E
SCHEMBL11203954 0.83 SIGMAR1 (0.58) SIGMAR1POLB
SCHEMBL10860653 0.82 SIGMAR1 (0.54) GAASIGMAR1TSHRHTTLMNA
SCHEMBL11201299 0.82 USP2 (0.50) GAATSHRALDH1A1USP2HSD17B10

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
US-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 — — US claimed
US-4582833-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1986-04-15 — — US disclosed
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