SCHEMBL11268503

SCHEMBL11268503

CCOC(=O)N(C(=O)CN1CCNCC1)c1nc2cc3nc(N(C(=O)CN4CCNCC4)C(=O)OCC)sc3cc2s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ABL1 P00519 1/20 0.35
▸ CLK1 P49759 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ RAD52 P43351 2/20 0.33

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
SCHEMBL11252945 0.94 DRD2 (0.48) DRD2SIGMAR1NPC1RAB9AABL1
SCHEMBL11269178 0.75 DRD2 (0.38) DRD2SIGMAR1NPC1RAB9AMEN1
SCHEMBL11270284 0.75 ALDH1A1 (0.43) DRD2ABL1ALDH1A1TSHRRAD52
SCHEMBL11254401 0.74 NPC1 (0.44) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL11257322 0.70 DRD2 (0.40) DRD2NPC1RAB9AMAPTKDM4E
SCHEMBL11261043 0.69 HDAC1 (0.39) SIGMAR1MAPTALDH1A1HTR2C
SCHEMBL11251027 0.69 HTR2C (0.39) DRD2NPC1RAB9AMAPTALDH1A1
SCHEMBL11251039 0.68 CLK1 (0.57) CLK1MAPTKDM4EMEN1ALDH1A1
SCHEMBL11267504 0.67 DRD2 (0.41) DRD2NPC1RAB9AMAPTKDM4E
SCHEMBL11268499 0.63 CLK1 (0.62) CLK1KDM4EALDH1A1TSHRSMN1; SMN2

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
Send feedback