SCHEMBL7024099

SCHEMBL7024099

C[C@@H]1CNCCN1c1cccc2c1CC(NC(=O)c1ccc(N3CCC(=O)CC3)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.43
▸ MTNR1B P49286 6/20 0.43
▸ SMYD3 Q9H7B4 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BRPF1 P55201 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL7031763 1.00 MTNR1A (0.43) MTNR1AMTNR1BSMYD3NPC1TSHR
SCHEMBL7181651 0.92 USP30 (0.44) MTNR1AMTNR1BSMYD3HTR3AUSP30
SCHEMBL7181646 0.92 USP30 (0.44) MTNR1AMTNR1BSMYD3HTR3AUSP30
SCHEMBL7181656 0.92 USP30 (0.44) MTNR1AMTNR1BSMYD3HTR3AUSP30
SCHEMBL7025317 0.83 MTNR1A (0.49) MTNR1AMTNR1BNPC1RAB9AKCNH2
SCHEMBL7025324 0.83 MTNR1A (0.49) MTNR1AMTNR1BNPC1RAB9AKCNH2
SCHEMBL7179971 0.82 USP30 (0.42) MTNR1AMTNR1BSMYD3USP30CYP1A2
SCHEMBL7179973 0.82 USP30 (0.42) MTNR1AMTNR1BSMYD3USP30CYP1A2
SCHEMBL7179968 0.82 USP30 (0.42) MTNR1AMTNR1BSMYD3USP30CYP1A2
SCHEMBL6820526 0.79 USP30 (0.49) MTNR1AMTNR1BSMYD3TSHRUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 — — EP claimed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 — — US claimed
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 — — EP disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 — — US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 — — US disclosed
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 — — EP disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 — — WO disclosed
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