SCHEMBL10397237

SCHEMBL10397237

O=S(=O)(c1ccccc1)N1CCC(CN2CCc3c([nH]c4ccccc34)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 1/20 0.54
▸ DRD5 P21918 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ ATM Q13315 2/20 0.48
▸ RCE1 Q9Y256 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL7783645 0.81 DRD1 (0.62) DRD1DRD5SIGMAR1MEN1KMT2A
SCHEMBL10396300 0.80 HTR1A (0.60) DRD1DRD5HDAC1HDAC6HTR1A
Hydrochloric Acid SCHEMBL10396301 0.80 DRD1 (0.61) DRD1DRD5SIGMAR1MEN1KMT2A
SCHEMBL10396293 0.78 TRPV1 (0.58) DRD1DRD5MEN1KMT2ATRPV1
SCHEMBL10397351 0.76 PRMT5 (0.56) DRD1DRD5HDAC1HDAC6MEN1
SCHEMBL12719663 0.76 ALDH1A1 (0.61) MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL1625857 0.75 ALDH1A1 (0.60) MEN1KMT2AGAA
SCHEMBL17517486 0.73 SIGMAR1 (0.68) SIGMAR1MEN1KMT2AATMRCE1
SCHEMBL24122147 0.73 SIGMAR1 (0.58) DRD1DRD5SIGMAR1MEN1KMT2A
SCHEMBL22528276 0.73 SIGMAR1 (0.58) DRD1DRD5SIGMAR1MEN1KMT2A

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-4977159-A HYPOTENSIVE AGENTS SYNTHELABO (FR) 1990-12-11 — — US disclosed
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