SCHEMBL8612272

SCHEMBL8612272

O=C(CN1CCN(c2ccccn2)CC1)Nc1nc2ccc(Cl)cc2s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ TSHR P16473 2/20 0.75
▸ USP2 O75604 1/20 0.75
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ CLK1 P49759 2/20 0.66
▸ POLB P06746 2/20 0.66
▸ SLC27A1 Q6PCB7 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ HBB P68871 1/20 0.60
▸ DRD2 P14416 3/20 0.59
▸ DRD4 P21917 3/20 0.59
▸ DRD3 P35462 2/20 0.59
▸ THRB P10828 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 1/20 0.55

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
SCHEMBL8357081 0.89 SMN1; SMN2 (0.75) LMNASMN1; SMN2TSHRUSP2MEN1
SCHEMBL8354632 0.86 SMN1; SMN2 (0.85) LMNASMN1; SMN2TSHRUSP2MEN1
Hydrochloric Acid SCHEMBL8358101 0.85 SMN1; SMN2 (0.84) LMNASMN1; SMN2TSHRUSP2MEN1
SCHEMBL3394423 0.80 CLK1 (0.67) SMN1; SMN2MEN1KMT2ACLK1POLB
SCHEMBL28643433 0.80 CLK1 (1.00) SMN1; SMN2MEN1KMT2ACLK1POLB
SCHEMBL4006366 0.78 THRB (0.82) LMNATSHRMEN1KMT2APOLB
SCHEMBL4006313 0.78 THRB (0.77) LMNASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8353613 0.76 ALDH1A1 (0.74) LMNASMN1; SMN2TSHRUSP2KMT2A
SCHEMBL8353601 0.75 ALDH1A1 (0.70) LMNASMN1; SMN2TSHRUSP2KMT2A
SCHEMBL3392183 0.75 CLK1 (0.65) SMN1; SMN2MEN1KMT2ACLK1POLB

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-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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