SCHEMBL11267504

SCHEMBL11267504

O=C(CN1CCCCC1)N(c1nc2cc3nc(N(C(=O)CN4CCCCC4)N4CCCCC4)sc3cc2s1)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.41
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ TERT O14746 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ HTT P42858 1/20 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
SCHEMBL11262480 0.82 HTR2C (0.40) NPC1RAB9ATSHRLMNAMAPK1
Hydrochloric Acid SCHEMBL11254022 0.81 RAD52 (0.41) NPC1RAB9ATSHRLMNAMAPK1
SCHEMBL11265320 0.80 HTR2C (0.41) DRD2NPC1RAB9ATSHRLMNA
SCHEMBL11260549 0.75 HTR2C (0.36) NPC1RAB9ATSHRLMNAMAPK1
SCHEMBL11257441 0.70 HTR2C (0.39) DRD2NPC1RAB9AHDAC6ALDH1A1
SCHEMBL11265935 0.70 KDM4E (0.64) TSHRKDM4EPIK3CAALDH1A1KMT2A
SCHEMBL11262482 0.70 KDM4E (0.64) TSHRKDM4EPIK3CAALDH1A1KMT2A
SCHEMBL11265827 0.70 HTR2C (0.39) DRD2NPC1RAB9ATSHRHDAC6
SCHEMBL11258507 0.70 SMN1; SMN2 (0.39) NPC1RAB9ATSHRLMNAKDM4E
SCHEMBL11260544 0.69 HTT (0.42) NPC1RAB9ATSHRLMNAKDM4E

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
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