SCHEMBL10499583

SCHEMBL10499583

CC(=O)n1nc(C2CCN(C)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
CYP2D6 P10635 1/20 0.42
SYK P43405 1/20 0.42
CYP11B2 P19099 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CREBBP Q92793 1/20 0.38
RBP4 P02753 1/20 0.38
DHFR P00374 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
Hydrochloric Acid SCHEMBL10395957 0.99 ELANE (0.43) ELANECYP2D6SYKCYP11B2POLB
SCHEMBL10395836 0.87 ELANE (0.49) ELANECYP2D6SYKPOLBMEN1
Hydrochloric Acid SCHEMBL10396434 0.86 ELANE (0.48) ELANECYP2D6SYKPOLBMEN1
SCHEMBL10737898 0.84 ELANE (0.47) ELANECYP2D6SYKKDM4EALDH1A1
SCHEMBL10738773 0.84 ELANE (0.50) ELANEMEN1KMT2A
SCHEMBL10396614 0.83 ELANE (0.50) ELANEMEN1KMT2A
SCHEMBL10739040 0.83 ELANE (0.50) ELANEPOLBMEN1KMT2ACNR1
SCHEMBL1545547 0.83 GAA (0.43) CYP2D6SYKALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL10396421 0.83 ELANE (0.47) ELANECYP2D6SYKKDM4EALDH1A1
SCHEMBL10735833 0.82 BCHE (0.53) CYP2D6SYKALDH1A1HTR2AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135781-B1 3-(PIPERIDINYL)- AND 3-(PYRROLIDINYL)-1H-INDAZOLES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS A MEDICAMENT HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-10-11 EP claimed
US-4670447-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS AND HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-02 US claimed
EP-0135781-A1 3-(Piperidinyl)- and 3-(pyrrolidinyl)-1H-indazoles, a process for their preparation and their use as a medicament HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-04-03 EP claimed