SCHEMBL11223500

SCHEMBL11223500

Cn1cc(C(=O)CCC(=O)N2CCC(c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 2/20 0.57
▸ LMNA P02545 2/20 0.51
▸ MITF O75030 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ESR1 P03372 1/20 0.49
▸ HTR7 P34969 4/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL11239834 0.92 MCHR1 (0.54) TPSAB1LMNAMITFALDH1A1MAPT
SCHEMBL11498279 0.87 TPSAB1 (0.55) TPSAB1LMNAALDH1A1KMT2APARP1
SCHEMBL11240652 0.86 TPSAB1 (0.57) TPSAB1CREBBP
SCHEMBL11243613 0.81 HSD17B10 (0.54) TPSAB1LMNAALDH1A1KMT2ANPSR1
SCHEMBL11242790 0.79 KMT2A (0.50) ALDH1A1KMT2AESR1HTR7PARP1
SCHEMBL11218298 0.77 LMNA (0.50) LMNAMITFALDH1A1MAPTKMT2A
SCHEMBL4198757 0.76 NAMPT (0.65) LMNAALDH1A1MAPTESR1HTR7
SCHEMBL11227116 0.76 LMNA (0.68) LMNAMITFALDH1A1MAPTKMT2A
SCHEMBL11223398 0.76 ADAM17 (0.57) TPSAB1ALDH1A1MAPTKMT2AESR1
SCHEMBL11321033 0.75 LMNA (0.48) LMNAMITFALDH1A1MAPTKMT2A

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-0007399-B1 INDOLYLALKYL AMINES, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR MANUFACTURE MERCK PATENT GmbH (DE) 1982-01-20 — — EP disclosed
US-4251538-A Indolealkylamines and processes for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-02-17 — — US disclosed
EP-0007399-A1 Indolylalkyl amines, pharmaceutical preparations containing them and process for their manufacture MERCK PATENT GmbH (DE) 1980-02-06 — — EP disclosed
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